2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]acetamide Formula: C22H26N4OS3 MolecularWeight: 458.66304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C22H26N4OS3/c1-28-18-10-5-7-16(13-18)23-21(27)15-30-22-25-24-20(14-19-11-6-12-29-19)26(22)17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9,14-15H2,1H3,(H,23,27)