1-(3-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-(3-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[(E)-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyleneamino]thiourea Formula: C19H18ClN5OS MolecularWeight: 399.89712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5OS/c1-13-17(18(26)25(24(13)2)16-9-4-3-5-10-16)12-21-23-19(27)22-15-8-6-7-14(20)11-15/h3-12H,1-2H3,(H2,22,23,27)/b21-12+