N-(4-ethoxyphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(4-ethoxyphenyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-ethoxyphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-p-phenetyl-3-(3-p-phenetyl-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=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)OCC

InChI

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