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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1-oxidanylbutan-2-yl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[1-(hydroxymethyl)propyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(1-hydroxybutan-2-yl)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-hydroxybutan-2-yl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(1-methylolpropyl)thiourea Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-4-12(10-21)17-16(23)18-14-11(2)19(3)20(15(14)22)13-8-6-5-7-9-13/h5-9,12,21H,4,10H2,1-3H3,(H2,17,18,23)