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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-1-phenylpropylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-1-phenylpropylideneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-1-phenylpropylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-1-phenylpropylideneamino]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(Z)-1-phenylpropylideneamino]thiourea Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CC/C(=N/NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)/C3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-4-18(16-11-7-5-8-12-16)23-24-21(28)22-19-15(2)25(3)26(20(19)27)17-13-9-6-10-14-17/h5-14H,4H2,1-3H3,(H2,22,24,28)/b23-18-