1-(5-chloranyl-2-cyano-phenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(5-chloranyl-2-cyano-phenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(5-chloro-2-cyano-phenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(5-chloro-2-cyanophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(5-chloro-2-cyanophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(5-chloro-2-cyano-phenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H16ClN5OS MolecularWeight: 397.88124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C19H16ClN5OS/c1-12-17(18(26)25(24(12)2)15-6-4-3-5-7-15)23-19(27)22-16-10-14(20)9-8-13(16)11-21/h3-10H,1-2H3,(H2,22,23,27)