2-[[5-(4-butoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-[[5-(4-butoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[[5-(4-butoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[[5-(4-butoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[[5-(4-butoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[[5-(4-butoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C28H35N5O2S2 MolecularWeight: 537.7398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

InChI

InChI=1S/C28H35N5O2S2/c1-6-7-14-35-20-11-8-18(9-12-20)25-31-32-27(33(25)5)36-17-24(34)30-26-22(16-29)21-13-10-19(28(2,3)4)15-23(21)37-26/h8-9,11-12,19H,6-7,10,13-15,17H2,1-5H3,(H,30,34)