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

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H20ClN5O3S2 MolecularWeight: 477.9875

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O3S2/c21-16-8-6-14(7-9-16)13-30-20-23-19(24-25-20)22-18(27)15-4-3-5-17(12-15)31(28,29)26-10-1-2-11-26/h3-9,12H,1-2,10-11,13H2,(H2,22,23,24,25,27)