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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(pyridin-4-ylcarbonylamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(pyridine-4-carbonylamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(pyridine-4-carbonylamino)thiourea Traditional Name: 1-isonicotinamido-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O2S/c1-12-15(17(26)24(23(12)2)14-6-4-3-5-7-14)20-18(27)22-21-16(25)13-8-10-19-11-9-13/h3-11H,1-2H3,(H,21,25)(H2,20,22,27)