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

Systemtic Name: 1-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[(Z)-1-(3-chlorophenyl)ethylideneamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5OS/c1-13(15-8-7-9-16(21)12-15)23-24-20(28)22-18-14(2)25(3)26(19(18)27)17-10-5-4-6-11-17/h4-12H,1-3H3,(H2,22,24,28)/b23-13-