N-(3,4-diethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NN3)OCC

InChI

InChI=1S/C20H22N4O3S/c1-3-26-17-9-8-16(11-18(17)27-4-2)23-19(25)15-7-5-6-14(10-15)12-28-20-21-13-22-24-20/h5-11,13H,3-4,12H2,1-2H3,(H,23,25)(H,21,22,24)