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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[1-(4-pyridyl)ethyl]propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(1-pyridin-4-ylethyl)propanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[1-(4-pyridyl)ethyl]propionamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC(C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC(C)C3=CC=NC=C3

InChI

InChI=1S/C19H21N5OS/c1-13-4-3-5-16(12-13)18-22-23-19(26)24(18)11-8-17(25)21-14(2)15-6-9-20-10-7-15/h3-7,9-10,12,14H,8,11H2,1-2H3,(H,21,25)(H,23,26)