N-(3-methoxy-4-phenyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-methoxy-4-phenyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(3-methoxy-4-phenyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(3-methoxy-4-phenylphenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(3-methoxy-4-phenylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(3-methoxy-4-phenyl-phenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-29-21-13-19(10-11-20(21)17-7-3-2-4-8-17)26-22(28)18-9-5-6-16(12-18)14-30-23-24-15-25-27-23/h2-13,15H,14H2,1H3,(H,26,28)(H,24,25,27)