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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-3-pyridylmethyleneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-3-pyridinylmethylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(Z)-3-pyridylmethyleneamino]thiourea Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6OS/c1-13-16(17(25)24(23(13)2)15-8-4-3-5-9-15)21-18(26)22-20-12-14-7-6-10-19-11-14/h3-12H,1-2H3,(H2,21,22,26)/b20-12-