N-(4-ethoxy-3-methoxy-phenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(4-ethoxy-3-methoxy-phenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(4-ethoxy-3-methoxy-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-ethoxy-3-methoxyphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-ethoxy-3-methoxyphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(4-ethoxy-3-methoxy-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C)OC

InChI

InChI=1S/C21H24N4O3S/c1-4-28-17-9-8-16(13-18(17)27-3)22-19(26)10-11-25-20(23-24-21(25)29)15-7-5-6-14(2)12-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,26)(H,24,29)