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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-5-14-25-21(18-10-12-20(27-4)13-11-18)23-26(22(25)28)16-24(3)15-19-9-7-6-8-17(19)2/h5-13H,1,14-16H2,2-4H3/p+1