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

Systemtic Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=C2CSC3=NC=NN3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=C2CSC3=NC=NN3)OCC

InChI

InChI=1S/C22H26N4O3S/c1-4-28-19-11-10-16(12-20(19)29-5-2)15(3)25-21(27)18-9-7-6-8-17(18)13-30-22-23-14-24-26-22/h6-12,14-15H,4-5,13H2,1-3H3,(H,25,27)(H,23,24,26)