5-methoxy-6-methyl-3-phenethylsulfanyl-N-(2H-1,2,3,4-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-methoxy-6-methyl-3-phenethylsulfanyl-N-(2H-1,2,3,4-tetrazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 5-methoxy-6-methyl-3-phenethylsulfanyl-N-(2H-tetrazol-5-yl)benzothiophene-2-carboxamide CAS Name: 5-methoxy-6-methyl-3-(phenethylthio)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-methoxy-6-methyl-3-phenethylsulfanyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 5-methoxy-6-methyl-3-(phenethylthio)-N-(2H-tetrazol-5-yl)benzothiophene-2-carboxamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)SC(=C2SCCC3=CC=CC=C3)C(=O)NC4=NNN=N4)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)SC(=C2SCCC3=CC=CC=C3)C(=O)NC4=NNN=N4)OC

InChI

InChI=1S/C20H19N5O2S2/c1-12-10-16-14(11-15(12)27-2)17(28-9-8-13-6-4-3-5-7-13)18(29-16)19(26)21-20-22-24-25-23-20/h3-7,10-11H,8-9H2,1-2H3,(H2,21,22,23,24,25,26)