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

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-N-(4-methoxyphenyl)benzamide Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C26H24N4O2S/c1-32-23-15-13-21(14-16-23)27-25(31)20-9-7-18(8-10-20)17-33-26-29-28-24(19-11-12-19)30(26)22-5-3-2-4-6-22/h2-10,13-16,19H,11-12,17H2,1H3,(H,27,31)