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

Systemtic Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[5-cyclohexyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FN5OS/c21-16-8-10-17(11-9-16)22-18(27)14-28-20-24-23-19(15-6-2-1-3-7-15)26(20)25-12-4-5-13-25/h4-5,8-13,15H,1-3,6-7,14H2,(H,22,27)