2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)ethanamide

Systemtic Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[[5-cyclohexyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-(4-ethylphenyl)acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4CCCCC4

InChI

InChI=1S/C22H27N5OS/c1-2-17-10-12-19(13-11-17)23-20(28)16-29-22-25-24-21(18-8-4-3-5-9-18)27(22)26-14-6-7-15-26/h6-7,10-15,18H,2-5,8-9,16H2,1H3,(H,23,28)