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

Systemtic Name: 1-(2-adamantylideneamino)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(2-adamantylideneamino)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(2-adamantylideneamino)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(2-adamantylideneamino)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(2-adamantylideneamino)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H27N5OS/c1-13-19(21(28)27(26(13)2)18-6-4-3-5-7-18)23-22(29)25-24-20-16-9-14-8-15(11-16)12-17(20)10-14/h3-7,14-17H,8-12H2,1-2H3,(H2,23,25,29)