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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC(=CC=C4)Cl

InChI

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