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

Systemtic Name: 1-[(Z)-butan-2-ylideneamino]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-1-methylpropylideneamino]thiourea CAS Name: 1-[(Z)-butan-2-ylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[(Z)-butan-2-ylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[(Z)-1-methylpropylideneamino]thiourea Formula: C16H21N5OS MolecularWeight: 331.43584

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-5-11(2)18-19-16(23)17-14-12(3)20(4)21(15(14)22)13-9-7-6-8-10-13/h6-10H,5H2,1-4H3,(H2,17,19,23)/b18-11-