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

Systemtic Name: S-prop-2-enyl 5-azanyl-2-butan-2-yl-4-(2-chlorophenyl)-3-oxidanylidene-pyrazole-1-carbothioate Openeye Name: S-allyl 5-amino-4-(2-chlorophenyl)-3-oxo-2-sec-butyl-pyrazole-1-carbothioate CAS Name: 5-amino-2-butan-2-yl-4-(2-chlorophenyl)-3-oxo-1-pyrazolecarbothioic acid S-prop-2-enyl ester IUPAC Name: S-prop-2-enyl 5-amino-2-butan-2-yl-4-(2-chlorophenyl)-3-oxopyrazole-1-carbothioate Traditional Name: 5-amino-4-(2-chlorophenyl)-3-keto-2-sec-butyl-3-pyrazoline-1-carbothioic acid S-allyl ester Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=C(N1C(=O)SCC=C)N)C2=CC=CC=C2Cl

Isomeric SMILES

CCC(C)N1C(=O)C(=C(N1C(=O)SCC=C)N)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H20ClN3O2S/c1-4-10-24-17(23)21-15(19)14(12-8-6-7-9-13(12)18)16(22)20(21)11(3)5-2/h4,6-9,11H,1,5,10,19H2,2-3H3