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

Systemtic Name: N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O3S3 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CSCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S3/c26-20(17-9-6-10-18(13-17)31(27,28)25-11-4-5-12-25)22-21-24-23-19(30-21)15-29-14-16-7-2-1-3-8-16/h1-3,6-10,13H,4-5,11-12,14-15H2,(H,22,24,26)