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

Systemtic Name: S-prop-2-enyl 5-azanyl-4-(2-methylphenyl)-3-oxidanylidene-2-propan-2-yl-pyrazole-1-carbothioate Openeye Name: S-allyl 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-prop-2-enyl ester IUPAC Name: S-prop-2-enyl 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-allyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3