3-nitro-N-(5-phenylsulfanylpentyl)quinolin-4-amine

Systemtic Name: 3-nitro-N-(5-phenylsulfanylpentyl)quinolin-4-amine Openeye Name: 3-nitro-N-(5-phenylsulfanylpentyl)quinolin-4-amine CAS Name: 3-nitro-N-[5-(phenylthio)pentyl]-4-quinolinamine IUPAC Name: 3-nitro-N-(5-phenylsulfanylpentyl)quinolin-4-amine Traditional Name: (3-nitro-4-quinolyl)-[5-(phenylthio)pentyl]amine Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCCCNC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCCCCNC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O2S/c24-23(25)19-15-22-18-12-6-5-11-17(18)20(19)21-13-7-2-8-14-26-16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,21,22)