4-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C22H16Cl2N4OS MolecularWeight: 455.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H16Cl2N4OS/c23-16-10-11-18(19(24)12-16)21-26-27-22(28(21)17-4-2-1-3-5-17)30-13-14-6-8-15(9-7-14)20(25)29/h1-12H,13H2,(H2,25,29)