2-[1-(4-ethoxyphenyl)-2-nitro-butyl]sulfanylaniline

Systemtic Name: 2-[1-(4-ethoxyphenyl)-2-nitro-butyl]sulfanylaniline Openeye Name: 2-[1-(4-ethoxyphenyl)-2-nitro-butyl]sulfanylaniline CAS Name: 2-[[1-(4-ethoxyphenyl)-2-nitrobutyl]thio]aniline IUPAC Name: 2-[1-(4-ethoxyphenyl)-2-nitrobutyl]sulfanylaniline Traditional Name: [2-[(2-nitro-1-p-phenetyl-butyl)thio]phenyl]amine Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-3-16(20(21)22)18(24-17-8-6-5-7-15(17)19)13-9-11-14(12-10-13)23-4-2/h5-12,16,18H,3-4,19H2,1-2H3