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

Systemtic Name: S-ethyl 5-azanyl-4-(2-methylphenyl)-3-oxidanylidene-2-propan-2-yl-pyrazole-1-carbothioate Openeye Name: S-ethyl 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-ethyl ester IUPAC Name: S-ethyl 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-ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1C(=C(C(=O)N1C(C)C)C2=CC=CC=C2C)N

Isomeric SMILES

CCSC(=O)N1C(=C(C(=O)N1C(C)C)C2=CC=CC=C2C)N

InChI

InChI=1S/C16H21N3O2S/c1-5-22-16(21)19-14(17)13(15(20)18(19)10(2)3)12-9-7-6-8-11(12)4/h6-10H,5,17H2,1-4H3