(2-chloranyl-5-nitro-phenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]ammonium Formula: C16H16ClN6O2S+ MolecularWeight: 391.85524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2C(=S)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CN2C(=S)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H15ClN6O2S/c1-20(10-12-9-14(23(24)25)7-8-15(12)17)11-21-16(26)22(19-18-21)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3/p+1