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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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