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

Systemtic Name: 2-[1-(4-ethylphenyl)-2-nitro-butyl]sulfanylaniline Openeye Name: 2-[1-(4-ethylphenyl)-2-nitro-butyl]sulfanylaniline CAS Name: 2-[[1-(4-ethylphenyl)-2-nitrobutyl]thio]aniline IUPAC Name: 2-[1-(4-ethylphenyl)-2-nitrobutyl]sulfanylaniline Traditional Name: [2-[[1-(4-ethylphenyl)-2-nitro-butyl]thio]phenyl]amine Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(CC)[N+](=O)[O-])SC2=CC=CC=C2N

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(CC)[N+](=O)[O-])SC2=CC=CC=C2N

InChI

InChI=1S/C18H22N2O2S/c1-3-13-9-11-14(12-10-13)18(16(4-2)20(21)22)23-17-8-6-5-7-15(17)19/h5-12,16,18H,3-4,19H2,1-2H3