1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(5-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=CC=C(C3=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=CC=C(C3=O)O

InChI

InChI=1S/C19H19N5O3S/c1-12-16(18(27)24(23(12)2)14-8-4-3-5-9-14)21-19(28)22-20-11-13-7-6-10-15(25)17(13)26/h3-11,20,25H,1-2H3,(H2,21,22,28)