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

Systemtic Name: S-methyl 5-azanyl-2-butan-2-yl-4-(2-methylphenyl)-3-oxidanylidene-pyrazole-1-carbothioate Openeye Name: S-methyl 5-amino-4-(o-tolyl)-3-oxo-2-sec-butyl-pyrazole-1-carbothioate CAS Name: 5-amino-2-butan-2-yl-4-(2-methylphenyl)-3-oxo-1-pyrazolecarbothioic acid S-methyl ester IUPAC Name: S-methyl 5-amino-2-butan-2-yl-4-(2-methylphenyl)-3-oxopyrazole-1-carbothioate Traditional Name: 5-amino-3-keto-4-(o-tolyl)-2-sec-butyl-3-pyrazoline-1-carbothioic acid S-methyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=C(N1C(=O)SC)N)C2=CC=CC=C2C

Isomeric SMILES

CCC(C)N1C(=O)C(=C(N1C(=O)SC)N)C2=CC=CC=C2C

InChI

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