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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-homoveratryl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-26-17-8-5-14(11-18(17)27-2)9-10-21-19(25)16-6-3-15(4-7-16)12-28-20-22-13-23-24-20/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,25)(H,22,23,24)