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

Systemtic Name: 2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[[5-cyclohexyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(5-cyclohexyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c27-19(22-15-17-9-3-1-4-10-17)16-28-21-24-23-20(18-11-5-2-6-12-18)26(21)25-13-7-8-14-25/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,22,27)