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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-3-28-19-10-7-16(13-20(19)29-4-2)11-12-23-21(27)18-8-5-17(6-9-18)14-30-22-24-15-25-26-22/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,27)(H,24,25,26)