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

Systemtic Name: (4-ethoxyphenyl)methyl-methyl-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (4-ethoxyphenyl)methyl-methyl-[[3-methyl-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (4-ethoxyphenyl)methyl-methyl-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-ethoxyphenyl)methyl-methyl-[[3-methyl-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: (4-ethoxybenzyl)-methyl-[[3-methyl-4-(m-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C21H26N4OS/c1-5-26-20-11-9-18(10-12-20)14-23(4)15-24-21(27)25(17(3)22-24)19-8-6-7-16(2)13-19/h6-13H,5,14-15H2,1-4H3/p+1