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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

InChI

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