[2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methylazanium

Systemtic Name: [2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methylazanium Openeye Name: [2-(4-methyl-2-nitro-phenyl)sulfanylphenyl]methylammonium CAS Name: [2-[(4-methyl-2-nitrophenyl)thio]phenyl]methylammonium IUPAC Name: [2-(4-methyl-2-nitrophenyl)sulfanylphenyl]methylazanium Traditional Name: [2-[(4-methyl-2-nitro-phenyl)thio]benzyl]ammonium Formula: C14H15N2O2S+ MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=CC=C2C[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2C[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O2S/c1-10-6-7-14(12(8-10)16(17)18)19-13-5-3-2-4-11(13)9-15/h2-8H,9,15H2,1H3/p+1