N-[(3,4-dimethoxyphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-veratryl-benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-25-16-8-5-14(9-17(16)26-2)10-20-18(24)15-6-3-13(4-7-15)11-27-19-21-12-22-23-19/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,21,22,23)