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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=NN3C4=CC=CC(=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=NN3C4=CC=CC(=C4)C

InChI

InChI=1S/C20H20N6OS2/c1-12-4-3-5-14(8-12)26-20(23-24-25-26)28-11-18(27)22-19-16(10-21)15-7-6-13(2)9-17(15)29-19/h3-5,8,13H,6-7,9,11H2,1-2H3,(H,22,27)