1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCCN3C=CN=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCCN3C=CN=C3

InChI

InChI=1S/C18H22N6OS/c1-14-16(17(25)24(22(14)2)15-7-4-3-5-8-15)21-18(26)20-9-6-11-23-12-10-19-13-23/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H2,20,21,26)