1-isothiocyanato-1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanimine

Systemtic Name: 1-isothiocyanato-1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanimine Openeye Name: 4-methyl-N-[(4-nitrophenyl)methyl]benzimidoyl isothiocyanate CAS Name: 1-isothiocyanato-1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanimine IUPAC Name: 4-methyl-N-[(4-nitrophenyl)methyl]benzenecarboximidoyl isothiocyanate Traditional Name: [isothiocyanato(p-tolyl)methylene]-(4-nitrobenzyl)amine Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NCC2=CC=C(C=C2)[N+](=O)[O-])N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)C(=NCC2=CC=C(C=C2)[N+](=O)[O-])N=C=S

InChI

InChI=1S/C16H13N3O2S/c1-12-2-6-14(7-3-12)16(18-11-22)17-10-13-4-8-15(9-5-13)19(20)21/h2-9H,10H2,1H3