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

Systemtic Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methylammonium IUPAC Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methylazanium Traditional Name: (4-carbomethoxybenzyl)-[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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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)C3CC3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C17H22N4O2S/c1-19(10-12-4-6-14(7-5-12)16(22)23-3)11-21-17(24)20(2)15(18-21)13-8-9-13/h4-7,13H,8-11H2,1-3H3/p+1