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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-morpholin-4-ylpyridin-2-yl)propanamide Openeye Name: N-(5-morpholino-2-pyridyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-(4-morpholinyl)-2-pyridinyl]propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-morpholin-4-ylpyridin-2-yl)propanamide Traditional Name: N-(5-morpholino-2-pyridyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=NC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=NC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H24N6O2S/c1-15-3-2-4-16(13-15)20-24-25-21(30)27(20)8-7-19(28)23-18-6-5-17(14-22-18)26-9-11-29-12-10-26/h2-6,13-14H,7-12H2,1H3,(H,25,30)(H,22,23,28)