1-[[4-ethyl-5-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3CC)CN4CCCCCC4=O

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=C(N3CC)CN4CCCCCC4=O

InChI

InChI=1S/C23H29N5O2S/c1-3-16-9-8-10-17-18(13-24-22(16)17)19(29)15-31-23-26-25-20(28(23)4-2)14-27-12-7-5-6-11-21(27)30/h8-10,13,24H,3-7,11-12,14-15H2,1-2H3