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

Systemtic Name: (4-ethylphenyl)methyl-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-ethylphenyl)methyl-[[3-(2-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethylphenyl)methyl-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-ethylphenyl)methyl-[[3-(2-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: (4-ethylbenzyl)-[[3-(2-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

InChI

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