1-butyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-thiourea

Systemtic Name: 1-butyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-thiourea Openeye Name: 1-butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-thiourea CAS Name: 1-butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methylthiourea IUPAC Name: 1-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylthiourea Traditional Name: 1-butyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-thiourea Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCCN(C)C(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C17H24N4OS/c1-5-6-12-19(3)17(23)18-15-13(2)20(4)21(16(15)22)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3,(H,18,23)