S-methyl 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-2-butan-2-yl-3-oxidanylidene-pyrazole-1-carbothioate

Systemtic Name: S-methyl 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-2-butan-2-yl-3-oxidanylidene-pyrazole-1-carbothioate Openeye Name: S-methyl 5-amino-4-(2,6-dichlorophenyl)-3-oxo-2-sec-butyl-pyrazole-1-carbothioate CAS Name: 5-amino-2-butan-2-yl-4-(2,6-dichlorophenyl)-3-oxo-1-pyrazolecarbothioic acid S-methyl ester IUPAC Name: S-methyl 5-amino-2-butan-2-yl-4-(2,6-dichlorophenyl)-3-oxopyrazole-1-carbothioate Traditional Name: 5-amino-4-(2,6-dichlorophenyl)-3-keto-2-sec-butyl-3-pyrazoline-1-carbothioic acid S-methyl ester Formula: C15H17Cl2N3O2S MolecularWeight: 374.28538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=C(N1C(=O)SC)N)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CCC(C)N1C(=O)C(=C(N1C(=O)SC)N)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C15H17Cl2N3O2S/c1-4-8(2)19-14(21)12(13(18)20(19)15(22)23-3)11-9(16)6-5-7-10(11)17/h5-8H,4,18H2,1-3H3