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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C16H15N5OS/c1-11-4-6-12(7-5-11)14(22)10-23-16-20-19-15(21(16)17)13-3-2-8-18-9-13/h2-9H,10,17H2,1H3