2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(p-tolyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[[4-(p-tolyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C25H26N5O2S+ MolecularWeight: 460.57124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+](C)CC3=CC4=C(C=C3)OCCO4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+](C)CC3=CC4=C(C=C3)OCCO4)C5=CC=NC=C5

InChI

InChI=1S/C25H25N5O2S/c1-18-3-6-21(7-4-18)30-24(20-9-11-26-12-10-20)27-29(25(30)33)17-28(2)16-19-5-8-22-23(15-19)32-14-13-31-22/h3-12,15H,13-14,16-17H2,1-2H3/p+1