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

Systemtic Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methylammonium IUPAC Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxycarbonylphenyl)methyl]-methylazanium Traditional Name: (4-carbomethoxybenzyl)-[(3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(=O)OC)C3CC3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C18H24N4O2S/c1-4-21-16(14-9-10-14)19-22(18(21)25)12-20(2)11-13-5-7-15(8-6-13)17(23)24-3/h5-8,14H,4,9-12H2,1-3H3/p+1