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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenoxyethyl)propanamide Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenoxyethyl)propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenoxyethyl)propanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenoxyethyl)propanamide Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenoxyethyl)propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-26-16-9-7-15(8-10-16)19-22-23-20(28)24(19)13-11-18(25)21-12-14-27-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,21,25)(H,23,28)