(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(p-tolyl)-3H-quinolin-1-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[2,2,4-trimethyl-4-(p-tolyl)-3H-quinolin-1-yl]methanone Formula: C28H25ClN2O3S MolecularWeight: 505.0277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC(N(C3=CC=CC=C32)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC(N(C3=CC=CC=C32)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl)(C)C)C

InChI

InChI=1S/C28H25ClN2O3S/c1-17-9-11-18(12-10-17)28(4)16-27(2,3)30(22-8-6-5-7-21(22)28)26(32)25-24(29)20-14-13-19(31(33)34)15-23(20)35-25/h5-15H,16H2,1-4H3