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

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonium Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C)OC)OC

InChI

InChI=1S/C22H27N5O2S/c1-6-10-26-21(17-8-7-9-23-13-17)24-27(22(26)30)15-25(3)14-18-12-20(29-5)19(28-4)11-16(18)2/h6-9,11-13H,1,10,14-15H2,2-5H3/p+1