1-[[4-ethyl-5-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCCCCC5=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCCCCC5=O

InChI

InChI=1S/C27H29N5O2S/c1-2-32-23(17-31-16-10-4-7-15-24(31)34)29-30-27(32)35-18-22(33)25-20-13-8-9-14-21(20)28-26(25)19-11-5-3-6-12-19/h3,5-6,8-9,11-14,28H,2,4,7,10,15-18H2,1H3