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

Systemtic Name: (4-ethoxyphenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-ethoxyphenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (4-ethoxyphenyl)methyl-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-ethoxybenzyl)-methyl-ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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)C3=CC=CC=C3)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-4-15-25-21(19-9-7-6-8-10-19)23-26(22(25)28)17-24(3)16-18-11-13-20(14-12-18)27-5-2/h4,6-14H,1,5,15-17H2,2-3H3/p+1