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

Systemtic Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-cyclohexyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5OS/c26-18(21-17-11-5-2-6-12-17)15-27-20-23-22-19(16-9-3-1-4-10-16)25(20)24-13-7-8-14-24/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,21,26)