N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-N-veratryl-propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NN(C=N2)C3=CC=CC=C3

InChI

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