2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-5-[2-(4-ethoxyphenyl)vinyl]-7,7-dimethyl-6H-benzothiophen-2-yl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-cyano-5-[2-(4-ethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophen-2-yl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-cyano-7,7-dimethyl-5-(2-p-phenetylvinyl)-6H-benzothiophen-2-yl]acetamide Formula: C25H26N6O2S2 MolecularWeight: 506.64294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC2=CC3=C(C(C2)(C)C)SC(=C3C#N)NC(=O)CSC4=NNC(=N4)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C=CC2=CC3=C(C(C2)(C)C)SC(=C3C#N)NC(=O)CSC4=NNC(=N4)N

InChI

InChI=1S/C25H26N6O2S2/c1-4-33-17-9-7-15(8-10-17)5-6-16-11-18-19(13-26)22(35-21(18)25(2,3)12-16)28-20(32)14-34-24-29-23(27)30-31-24/h5-11H,4,12,14H2,1-3H3,(H,28,32)(H3,27,29,30,31)