1-[2-(5-chloranyl-4-isocyano-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-methanamine

Systemtic Name: 1-[2-(5-chloranyl-4-isocyano-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-methanamine Openeye Name: 1-[2-(5-chloro-4-isocyano-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-methanamine CAS Name: 1-[2-[(5-chloro-4-isocyano-2-nitrophenyl)thio]phenyl]-N,N-dimethylmethanamine IUPAC Name: 1-[2-(5-chloro-4-isocyano-2-nitrophenyl)sulfanylphenyl]-N,N-dimethylmethanamine Traditional Name: [2-[(5-chloro-4-isocyano-2-nitro-phenyl)thio]benzyl]-dimethyl-amine Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=C(C=C(C(=C2)Cl)[N+]#[C-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=C(C=C(C(=C2)Cl)[N+]#[C-])[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O2S/c1-18-13-9-14(20(21)22)16(8-12(13)17)23-15-7-5-4-6-11(15)10-19(2)3/h4-9H,10H2,2-3H3