S-methyl 5-azanyl-4-(2-methylphenyl)-3-oxidanylidene-2-propan-2-yl-pyrazole-1-carbothioate

Systemtic Name: S-methyl 5-azanyl-4-(2-methylphenyl)-3-oxidanylidene-2-propan-2-yl-pyrazole-1-carbothioate Openeye Name: S-methyl 5-amino-2-isopropyl-4-(o-tolyl)-3-oxo-pyrazole-1-carbothioate CAS Name: 5-amino-4-(2-methylphenyl)-3-oxo-2-propan-2-yl-1-pyrazolecarbothioic acid S-methyl ester IUPAC Name: S-methyl 5-amino-4-(2-methylphenyl)-3-oxo-2-propan-2-ylpyrazole-1-carbothioate Traditional Name: 5-amino-2-isopropyl-3-keto-4-(o-tolyl)-3-pyrazoline-1-carbothioic acid S-methyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(N(C2=O)C(C)C)C(=O)SC)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(N(C2=O)C(C)C)C(=O)SC)N

InChI

InChI=1S/C15H19N3O2S/c1-9(2)17-14(19)12(11-8-6-5-7-10(11)3)13(16)18(17)15(20)21-4/h5-9H,16H2,1-4H3