2-(2-nitro-1-phenyl-butyl)sulfanylaniline

Systemtic Name: 2-(2-nitro-1-phenyl-butyl)sulfanylaniline Openeye Name: 2-(2-nitro-1-phenyl-butyl)sulfanylaniline CAS Name: 2-[(2-nitro-1-phenylbutyl)thio]aniline IUPAC Name: 2-(2-nitro-1-phenylbutyl)sulfanylaniline Traditional Name: [2-[(2-nitro-1-phenyl-butyl)thio]phenyl]amine Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)SC2=CC=CC=C2N)[N+](=O)[O-]

Isomeric SMILES

CCC(C(C1=CC=CC=C1)SC2=CC=CC=C2N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-2-14(18(19)20)16(12-8-4-3-5-9-12)21-15-11-7-6-10-13(15)17/h3-11,14,16H,2,17H2,1H3