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

Systemtic Name: 5,6-dimethoxy-3-phenethylsulfanyl-N-(2H-1,2,3,4-tetrazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 5,6-dimethoxy-3-phenethylsulfanyl-N-(2H-tetrazol-5-yl)benzothiophene-2-carboxamide CAS Name: 5,6-dimethoxy-3-(phenethylthio)-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 5,6-dimethoxy-3-phenethylsulfanyl-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 5,6-dimethoxy-3-(phenethylthio)-N-(2H-tetrazol-5-yl)benzothiophene-2-carboxamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(S2)C(=O)NC3=NNN=N3)SCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(S2)C(=O)NC3=NNN=N3)SCCC4=CC=CC=C4)OC

InChI

InChI=1S/C20H19N5O3S2/c1-27-14-10-13-16(11-15(14)28-2)30-18(19(26)21-20-22-24-25-23-20)17(13)29-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,21,22,23,24,25,26)