(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-nitrophenyl)methyl]azanium

Systemtic Name: (4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-nitrophenyl)methyl]azanium Openeye Name: (4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(2-nitrophenyl)methyl]ammonium CAS Name: (4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-nitrophenyl)methyl]ammonium IUPAC Name: (4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(2-nitrophenyl)methyl]azanium Traditional Name: (4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(2-nitrobenzyl)ammonium Formula: C13H18N5O2S+ MolecularWeight: 308.37932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+](C)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+](C)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O2S/c1-3-16-9-14-17(13(16)21)10-15(2)8-11-6-4-5-7-12(11)18(19)20/h4-7,9H,3,8,10H2,1-2H3/p+1