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

Systemtic Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-p-anisyl-ammonium Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-18(10-12-4-8-14(21-3)9-5-12)11-20-16(22)19(2)15(17-20)13-6-7-13/h4-5,8-9,13H,6-7,10-11H2,1-3H3/p+1