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

Systemtic Name: [3-(4-methoxyphenyl)-4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [4-isopropyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(o-tolylmethyl)ammonium CAS Name: [3-(4-methoxyphenyl)-4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [3-(4-methoxyphenyl)-4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [4-isopropyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(2-methylbenzyl)ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c1-16(2)26-21(18-10-12-20(27-5)13-11-18)23-25(22(26)28)15-24(4)14-19-9-7-6-8-17(19)3/h6-13,16H,14-15H2,1-5H3/p+1