1-[(E)-1-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]propylideneamino]thiourea

Systemtic Name: 1-[(E)-1-[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]propylideneamino]thiourea Openeye Name: [(E)-1-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propylideneamino]thiourea CAS Name: [(E)-1-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propylideneamino]thiourea IUPAC Name: [(E)-1-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propylideneamino]thiourea Traditional Name: [(E)-1-[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]propylideneamino]thiourea Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)N)C1C(=NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CC/C(=N\NC(=S)N)/[C@H]1C(=NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C14H17N5OS/c1-3-11(16-17-14(15)21)12-9(2)18-19(13(12)20)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H3,15,17,21)/b16-11+/t12-/m1/s1