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

Systemtic Name: 1-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CNNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=C(C1=O)C

InChI

InChI=1S/C21H23N5O2S/c1-13-10-16(11-14(2)19(13)27)12-22-24-21(29)23-18-15(3)25(4)26(20(18)28)17-8-6-5-7-9-17/h5-12,22H,1-4H3,(H2,23,24,29)