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

Systemtic Name: 4-chloranyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C20H19ClN4O3S3 MolecularWeight: 495.03786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H19ClN4O3S3/c21-16-9-8-15(12-17(16)31(27,28)25-10-4-5-11-25)18(26)22-19-23-24-20(30-19)29-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,22,23,26)