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

Systemtic Name: 1-butan-2-yl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-sec-butyl-thiourea CAS Name: 1-butan-2-yl-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-butan-2-yl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-sec-butyl-thiourea Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCC(C)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H22N4OS/c1-5-11(2)17-16(22)18-14-12(3)19(4)20(15(14)21)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H2,17,18,22)