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

Systemtic Name: 1-[[4-ethyl-5-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-(1H-indol-3-yl)-2-keto-1-phenyl-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=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)CN5CCCCCC5=O

Isomeric SMILES

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)CN5CCCCCC5=O

InChI

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