3-(5-methylhexan-2-yl)-N-(2-nitrophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(5-methylhexan-2-yl)-N-(2-nitrophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,4-dimethylpentyl)-N-(2-nitrophenyl)-4-(4-nitrophenyl)thiazol-2-imine CAS Name: 3-(5-methylhexan-2-yl)-N-(2-nitrophenyl)-4-(4-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(5-methylhexan-2-yl)-N-(2-nitrophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [3-(1,4-dimethylpentyl)-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]-(2-nitrophenyl)amine Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)N1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC(C)N1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-15(2)8-9-16(3)24-21(17-10-12-18(13-11-17)25(27)28)14-31-22(24)23-19-6-4-5-7-20(19)26(29)30/h4-7,10-16H,8-9H2,1-3H3