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

Systemtic Name: 1,5-dimethyl-4-[[3-(5-methylhexan-2-ylideneamino)-4-(3-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(1,4-dimethylpentylideneamino)-4-(3-nitrophenyl)thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[3-(5-methylhexan-2-ylideneamino)-4-(3-nitrophenyl)-2-thiazolylidene]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[3-(5-methylhexan-2-ylideneamino)-4-(3-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-2-phenylpyrazol-3-one Traditional Name: 4-[[3-(1,4-dimethylpentylideneamino)-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H30N6O3S MolecularWeight: 518.6305

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O3S/c1-18(2)14-15-19(3)29-31-24(21-10-9-13-23(16-21)33(35)36)17-37-27(31)28-25-20(4)30(5)32(26(25)34)22-11-7-6-8-12-22/h6-13,16-18H,14-15H2,1-5H3