4-[[4-(3-bromophenyl)-3-cycloheptyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[4-(3-bromophenyl)-3-cycloheptyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-(3-bromophenyl)-3-cycloheptyl-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-(3-bromophenyl)-3-cycloheptyl-2-thiazolylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-(3-bromophenyl)-3-cycloheptyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-(3-bromophenyl)-3-cycloheptyl-4-thiazolin-2-ylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H29BrN4OS MolecularWeight: 537.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)Br)C5CCCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)Br)C5CCCCCC5

InChI

InChI=1S/C27H29BrN4OS/c1-19-25(26(33)32(30(19)2)23-15-8-5-9-16-23)29-27-31(22-13-6-3-4-7-14-22)24(18-34-27)20-11-10-12-21(28)17-20/h5,8-12,15-18,22H,3-4,6-7,13-14H2,1-2H3