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

Systemtic Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H19ClN4O3S3 MolecularWeight: 495.03786

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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)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3S3/c21-16-8-6-14(7-9-16)13-29-20-24-23-19(30-20)22-18(26)15-4-3-5-17(12-15)31(27,28)25-10-1-2-11-25/h3-9,12H,1-2,10-11,13H2,(H,22,23,26)