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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-methyl-N-o-veratryl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C20H22N4O3S/c1-24(11-16-5-4-6-17(26-2)18(16)27-3)19(25)15-9-7-14(8-10-15)12-28-20-21-13-22-23-20/h4-10,13H,11-12H2,1-3H3,(H,21,22,23)