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

Systemtic Name: 5-azanyl-4-(2-chloranyl-3-propyl-phenyl)-2-(6-nitronaphthalen-1-yl)thiophen-3-one Openeye Name: 5-amino-4-(2-chloro-3-propyl-phenyl)-2-(6-nitro-1-naphthyl)thiophen-3-one CAS Name: 5-amino-4-(2-chloro-3-propylphenyl)-2-(6-nitro-1-naphthalenyl)-3-thiophenone IUPAC Name: 5-amino-4-(2-chloro-3-propylphenyl)-2-(6-nitronaphthalen-1-yl)thiophen-3-one Traditional Name: 5-amino-4-(2-chloro-3-propyl-phenyl)-2-(6-nitro-1-naphthyl)thiophen-3-one Formula: C23H19ClN2O3S MolecularWeight: 438.92656

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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-])N

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O3S/c1-2-5-13-6-3-9-18(20(13)24)19-21(27)22(30-23(19)25)17-8-4-7-14-12-15(26(28)29)10-11-16(14)17/h3-4,6-12,22H,2,5,25H2,1H3