4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C21H16ClN5OS MolecularWeight: 421.90264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5OS/c22-17-4-1-5-18(11-17)27-20(16-3-2-10-24-12-16)25-26-21(27)29-13-14-6-8-15(9-7-14)19(23)28/h1-12H,13H2,(H2,23,28)