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

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C17H17ClN5O2S+ MolecularWeight: 390.86718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O2S/c1-20(10-13-9-15(23(24)25)7-8-16(13)18)12-22-17(26)21(11-19-22)14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3/p+1