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

Systemtic Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-N-(4-methoxyphenyl)benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)C4CC4

InChI

InChI=1S/C21H22N4O2S/c1-25-19(15-7-8-15)23-24-21(25)28-13-14-3-5-16(6-4-14)20(26)22-17-9-11-18(27-2)12-10-17/h3-6,9-12,15H,7-8,13H2,1-2H3,(H,22,26)