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

Systemtic Name: 1-[(Z)-(4-cyanophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[(Z)-(4-cyanophenyl)methyleneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[(Z)-(4-cyanophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(Z)-(4-cyanophenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-[(Z)-(4-cyanobenzylidene)amino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6OS/c1-14-18(19(27)26(25(14)2)17-6-4-3-5-7-17)23-20(28)24-22-13-16-10-8-15(12-21)9-11-16/h3-11,13H,1-2H3,(H2,23,24,28)/b22-13-