1,5-dimethyl-4-[[3-(5-methylhexan-2-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[3-(5-methylhexan-2-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(1,4-dimethylpentyl)-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[3-(5-methylhexan-2-yl)-4-(4-nitrophenyl)-2-thiazolylidene]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[3-(5-methylhexan-2-yl)-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-2-phenylpyrazol-3-one Traditional Name: 4-[[3-(1,4-dimethylpentyl)-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H31N5O3S MolecularWeight: 505.63174

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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=C(C=C4)[N+](=O)[O-])C(C)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(C)CCC(C)C

InChI

InChI=1S/C27H31N5O3S/c1-18(2)11-12-19(3)30-24(21-13-15-23(16-14-21)32(34)35)17-36-27(30)28-25-20(4)29(5)31(26(25)33)22-9-7-6-8-10-22/h6-10,13-19H,11-12H2,1-5H3