1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(pentan-3-ylideneamino)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(pentan-3-ylideneamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(1-ethylpropylideneamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(pentan-3-ylideneamino)thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(pentan-3-ylideneamino)thiourea Traditional Name: 1-(1-ethylpropylideneamino)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C17H23N5OS MolecularWeight: 345.46242

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS/c1-5-13(6-2)19-20-17(24)18-15-12(3)21(4)22(16(15)23)14-10-8-7-9-11-14/h7-11H,5-6H2,1-4H3,(H2,18,20,24)