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

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H19Cl2N5O3S2 MolecularWeight: 512.43256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N5O3S2/c21-16-8-5-14(11-17(16)22)27-18(24-25-20(27)31)12-23-19(28)13-3-6-15(7-4-13)32(29,30)26-9-1-2-10-26/h3-8,11H,1-2,9-10,12H2,(H,23,28)(H,25,31)