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

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[[4-methyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[[4-methyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C16H17ClN5O2S2+ MolecularWeight: 410.92148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CS3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CS3

InChI

InChI=1S/C16H16ClN5O2S2/c1-19(9-11-8-12(22(23)24)5-6-13(11)17)10-21-16(25)20(2)15(18-21)14-4-3-7-26-14/h3-8H,9-10H2,1-2H3/p+1