3-methyl-N-[(1Z)-3,4,4-tris(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]aniline

Systemtic Name: 3-methyl-N-[(1Z)-3,4,4-tris(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]aniline Openeye Name: 3-methyl-N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]aniline CAS Name: 3-methyl-N-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]aniline IUPAC Name: 3-methyl-N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]aniline Traditional Name: m-tolyl-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]amine Formula: C17H13Cl3N2O2S MolecularWeight: 415.72132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)N/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/SC2=CC=CC=C2

InChI

InChI=1S/C17H13Cl3N2O2S/c1-11-6-5-7-12(10-11)21-17(25-13-8-3-2-4-9-13)15(22(23)24)14(18)16(19)20/h2-10,21H,1H3/b17-15-