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

Systemtic Name: (4-methoxycarbonylphenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H18N4O2S/c1-16(10-18-14(21)17(2)9-15-18)8-11-4-6-12(7-5-11)13(19)20-3/h4-7,9H,8,10H2,1-3H3/p+1