N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O3S3 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O3S3/c1-15-7-9-16(10-8-15)14-29-21-24-23-20(30-21)22-19(26)17-5-4-6-18(13-17)31(27,28)25-11-2-3-12-25/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,23,26)