3-[3,5-dimethyl-4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[3,5-dimethyl-4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[4-(2-anilino-2-oxo-ethyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[4-[(2-anilino-2-oxoethyl)thio]-3,5-dimethyl-1-pyrazolyl]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[4-(2-anilino-2-oxoethyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[4-[(2-anilino-2-keto-ethyl)thio]-3,5-dimethyl-pyrazol-1-yl]-6-methyl-1,2,4-triazin-5-olate Formula: C17H17N6O2S- MolecularWeight: 369.42088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)N2C(=C(C(=N2)C)SCC(=O)NC3=CC=CC=C3)C)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)N2C(=C(C(=N2)C)SCC(=O)NC3=CC=CC=C3)C)[O-]

InChI

InChI=1S/C17H18N6O2S/c1-10-15(26-9-14(24)18-13-7-5-4-6-8-13)12(3)23(22-10)17-19-16(25)11(2)20-21-17/h4-8H,9H2,1-3H3,(H,18,24)(H,19,21,25)/p-1