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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-phenyl-propanamide Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-phenyl-propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-phenylpropanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-phenylpropanamide Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-phenyl-propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-24-15-9-7-13(8-10-15)17-20-21-18(25)22(17)12-11-16(23)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,23)(H,21,25)