1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methylideneamino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=NNC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=N\NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H28N6OS/c1-14(2)27-15(3)12-18(16(27)4)13-23-25-22(30)24-20-17(5)26(6)28(21(20)29)19-10-8-7-9-11-19/h7-14H,1-6H3,(H2,24,25,30)/b23-13-