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

Systemtic Name: S-ethyl 5-azanyl-2-butan-2-yl-4-(2-methylphenyl)-3-oxidanylidene-pyrazole-1-carbothioate Openeye Name: S-ethyl 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-ethyl ester IUPAC Name: S-ethyl 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-ethyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2S/c1-5-12(4)19-16(21)14(13-10-8-7-9-11(13)3)15(18)20(19)17(22)23-6-2/h7-10,12H,5-6,18H2,1-4H3