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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[1-(4-pyridyl)ethyl]propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[1-(4-pyridyl)ethyl]propionamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-13(14-7-10-20-11-8-14)21-17(25)9-12-24-18(22-23-19(24)27)15-3-5-16(26-2)6-4-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,21,25)(H,23,27)