2-(4-methoxyphenoxy)ethyl-methyl-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: 2-(4-methoxyphenoxy)ethyl-methyl-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-(4-methoxyphenoxy)ethyl]-methyl-ammonium CAS Name: 2-(4-methoxyphenoxy)ethyl-methyl-[[4-methyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (3-benzyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[2-(4-methoxyphenoxy)ethyl]-methylazanium Traditional Name: (3-benzyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-(4-methoxyphenoxy)ethyl]-methyl-ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CCOC2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CCOC2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-23(13-14-27-19-11-9-18(26-3)10-12-19)16-25-21(28)24(2)20(22-25)15-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3/p+1