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

Systemtic Name: (4-ethoxyphenyl)methyl-methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-ethoxyphenyl)methyl-methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: (4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-ethoxybenzyl)-methyl-ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4OS/c1-4-26-20-12-10-19(11-13-20)14-23(3)16-25-21(27)24(17(2)22-25)15-18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3/p+1