1-[2-(3-chloranyl-4-isocyano-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-methanamine

Systemtic Name: 1-[2-(3-chloranyl-4-isocyano-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-methanamine Openeye Name: 1-[2-(3-chloro-4-isocyano-2-nitro-phenyl)sulfanylphenyl]-N,N-dimethyl-methanamine CAS Name: 1-[2-[(3-chloro-4-isocyano-2-nitrophenyl)thio]phenyl]-N,N-dimethylmethanamine IUPAC Name: 1-[2-(3-chloro-4-isocyano-2-nitrophenyl)sulfanylphenyl]-N,N-dimethylmethanamine Traditional Name: [2-[(3-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)[N+]#[C-])Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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