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

Systemtic Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-pyrrol-1-yl-phenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-pyrrol-1-yl-phenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-[4-methyl-3-(1-pyrrolyl)phenyl]acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-pyrrol-1-ylphenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-pyrrol-1-yl-phenyl)acetamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)COC4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)COC4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H31N5O2S/c1-21-14-15-22(18-25(21)32-16-8-9-17-32)29-27(34)20-36-28-31-30-26(19-35-24-12-6-3-7-13-24)33(28)23-10-4-2-5-11-23/h3,6-9,12-18,23H,2,4-5,10-11,19-20H2,1H3,(H,29,34)