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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S/c1-3-27-16-8-5-14(6-9-16)19-23-24-20(28)25(19)11-10-18(26)22-15-7-4-13(2)17(21)12-15/h4-9,12H,3,10-11H2,1-2H3,(H,22,26)(H,24,28)