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

Systemtic Name: 1-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=C(C=CC3=O)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC=C3C=C(C=CC3=O)Cl

InChI

InChI=1S/C19H18ClN5O2S/c1-12-17(18(27)25(24(12)2)15-6-4-3-5-7-15)22-19(28)23-21-11-13-10-14(20)8-9-16(13)26/h3-11,21H,1-2H3,(H2,22,23,28)