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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(4-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(4-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(6-keto-4-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C19H18N6O4S MolecularWeight: 426.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=CC(=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=CC(=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4S/c1-12-17(18(27)24(23(12)2)14-6-4-3-5-7-14)21-19(30)22-20-11-13-8-9-15(25(28)29)10-16(13)26/h3-11,20H,1-2H3,(H2,21,22,30)