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

Systemtic Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: (3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: (3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-p-anisyl-ammonium Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4OS/c1-4-20-16(14-7-8-14)18-21(17(20)23)12-19(2)11-13-5-9-15(22-3)10-6-13/h5-6,9-10,14H,4,7-8,11-12H2,1-3H3/p+1