4-(2-chloranyl-3-propyl-phenyl)-5-(methylamino)-2-(6-nitronaphthalen-1-yl)thiophen-3-one

Systemtic Name: 4-(2-chloranyl-3-propyl-phenyl)-5-(methylamino)-2-(6-nitronaphthalen-1-yl)thiophen-3-one Openeye Name: 4-(2-chloro-3-propyl-phenyl)-5-(methylamino)-2-(6-nitro-1-naphthyl)thiophen-3-one CAS Name: 4-(2-chloro-3-propylphenyl)-5-(methylamino)-2-(6-nitro-1-naphthalenyl)-3-thiophenone IUPAC Name: 4-(2-chloro-3-propylphenyl)-5-(methylamino)-2-(6-nitronaphthalen-1-yl)thiophen-3-one Traditional Name: 4-(2-chloro-3-propyl-phenyl)-5-(methylamino)-2-(6-nitro-1-naphthyl)thiophen-3-one Formula: C24H21ClN2O3S MolecularWeight: 452.95314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1Cl)C2=C(SC(C2=O)C3=CC=CC4=C3C=CC(=C4)[N+](=O)[O-])NC

Isomeric SMILES

CCCC1=CC=CC(=C1Cl)C2=C(SC(C2=O)C3=CC=CC4=C3C=CC(=C4)[N+](=O)[O-])NC

InChI

InChI=1S/C24H21ClN2O3S/c1-3-6-14-7-4-10-19(21(14)25)20-22(28)23(31-24(20)26-2)18-9-5-8-15-13-16(27(29)30)11-12-17(15)18/h4-5,7-13,23,26H,3,6H2,1-2H3