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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(methylthio)phenyl]propionamide Formula: C23H28N4OS3 MolecularWeight: 472.68962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C23H28N4OS3/c1-16(22(28)24-19-12-6-7-13-20(19)29-2)31-23-26-25-21(15-18-11-8-14-30-18)27(23)17-9-4-3-5-10-17/h6-8,11-14,16-17H,3-5,9-10,15H2,1-2H3,(H,24,28)