N-(3,4-diethoxyphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)OCC

InChI

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