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

Systemtic Name: [4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methylphenyl)methyl]-propyl-azanium Openeye Name: [4-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-propyl-(p-tolylmethyl)ammonium CAS Name: [4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methylphenyl)methyl]-propylammonium IUPAC Name: [4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methylphenyl)methyl]-propylazanium Traditional Name: [4-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-methylbenzyl)-propyl-ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=C(C=C1)C)CN2C(=S)N(C=N2)C3=CC=CC=C3OC

Isomeric SMILES

CCC[NH+](CC1=CC=C(C=C1)C)CN2C(=S)N(C=N2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H26N4OS/c1-4-13-23(14-18-11-9-17(2)10-12-18)16-25-21(27)24(15-22-25)19-7-5-6-8-20(19)26-3/h5-12,15H,4,13-14,16H2,1-3H3/p+1