N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]acetamide Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

InChI

InChI=1S/C20H20N6OS2/c1-12-7-8-16(13(2)9-12)26-20(23-24-25-26)28-11-18(27)22-19-15(10-21)14-5-3-4-6-17(14)29-19/h7-9H,3-6,11H2,1-2H3,(H,22,27)