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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)C

InChI

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