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

Systemtic Name: (4-methoxyphenyl)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-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-methoxyphenyl)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-methyl-p-anisyl-ammonium Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C20H23N5OS/c1-4-12-24-19(17-6-5-11-21-13-17)22-25(20(24)27)15-23(2)14-16-7-9-18(26-3)10-8-16/h4-11,13H,1,12,14-15H2,2-3H3/p+1