1-benzothiophen-2-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-methyl-[[4-methyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]ammonium Formula: C22H25N4OS2+ MolecularWeight: 425.5901

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=CC=C2)C[NH+](C)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4OS2/c1-25(15-19-14-17-8-6-7-11-20(17)29-19)16-21-23-24-22(26(21)2)28-13-12-27-18-9-4-3-5-10-18/h3-11,14H,12-13,15-16H2,1-2H3/p+1