2-(4-methylpyrimidin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone hydrochloride

Systemtic Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone hydrochloride Openeye Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone hydrochloride CAS Name: 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone hydrochloride IUPAC Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone hydrochloride Traditional Name: 2-[(4-methylpyrimidin-2-yl)thio]-1-(5-phenyl-2-pyrazolin-1-yl)ethanone hydrochloride Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N2C(CC=N2)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N2C(CC=N2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C16H16N4OS.ClH/c1-12-7-9-17-16(19-12)22-11-15(21)20-14(8-10-18-20)13-5-3-2-4-6-13;/h2-7,9-10,14H,8,11H2,1H3;1H