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

Systemtic Name: S-prop-2-enyl 5-azanyl-2-butan-2-yl-4-(2-methylphenyl)-3-oxidanylidene-pyrazole-1-carbothioate Openeye Name: S-allyl 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-prop-2-enyl ester IUPAC Name: S-prop-2-enyl 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-allyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-5-11-24-18(23)21-16(19)15(14-10-8-7-9-12(14)3)17(22)20(21)13(4)6-2/h5,7-10,13H,1,6,11,19H2,2-4H3