2-(1-nitro-4-phenyl-but-3-en-2-yl)sulfanylaniline

Systemtic Name: 2-(1-nitro-4-phenyl-but-3-en-2-yl)sulfanylaniline Openeye Name: 2-[1-(nitromethyl)-3-phenyl-allyl]sulfanylaniline CAS Name: 2-[(1-nitro-4-phenylbut-3-en-2-yl)thio]aniline IUPAC Name: 2-(1-nitro-4-phenylbut-3-en-2-yl)sulfanylaniline Traditional Name: [2-[[1-(nitromethyl)-3-phenyl-allyl]thio]phenyl]amine Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c17-15-8-4-5-9-16(15)21-14(12-18(19)20)11-10-13-6-2-1-3-7-13/h1-11,14H,12,17H2