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Reference, SMILES, CAS, Chemical name...

Amb10009547

Duplicate ID
SmilesO=C(C1CCCN1S(=O)(=O)c1cccs1)N(c1nc2c(s1)cccc2)CCn1cccn1
Cas Number 1219418-20-8
InchiKeyAQCYRJRIFYAKIT-UHFFFAOYSA-N
InChi InChI=1S/C21H21N5O3S3/c27-20(17-7-3-12-26(17)32(28,29)19-9-4-15-30-19)25(14-13-24-11-5-10-22-24)21-23-16-6-1-2-8-18(16)31-21/h1-2,4-6,8-11,15,17H,3,7,12-14H2
Formula C21H21N5O3S3
Molecular weight 487.618
Rings 5
logP 4.4595
PSA 153.26
MR 129.819
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