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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(E)-1-pyridin-3-ylethylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(E)-1-(3-pyridyl)ethylideneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(E)-1-(3-pyridinyl)ethylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(E)-1-pyridin-3-ylethylideneamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(E)-1-(3-pyridyl)ethylideneamino]thiourea Formula: C19H20N6OS MolecularWeight: 380.4667

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6OS/c1-13(15-8-7-11-20-12-15)22-23-19(27)21-17-14(2)24(3)25(18(17)26)16-9-5-4-6-10-16/h4-12H,1-3H3,(H2,21,23,27)/b22-13+