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

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone Formula: C27H23ClN2O3S MolecularWeight: 491.00112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C5=CC=CC=C5)C

InChI

InChI=1S/C27H23ClN2O3S/c1-26(2)16-27(3,17-9-5-4-6-10-17)20-11-7-8-12-21(20)29(26)25(31)24-23(28)19-14-13-18(30(32)33)15-22(19)34-24/h4-15H,16H2,1-3H3