3-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide

Systemtic Name: 3-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: 3-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: 3-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 3-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 3-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C17H18N6OS/c1-12-4-6-14(7-5-12)20-15(24)8-10-25-17-22-21-16(23(17)18)13-3-2-9-19-11-13/h2-7,9,11H,8,10,18H2,1H3,(H,20,24)