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

Systemtic Name: 4-butyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CNC3=C2C=CC=C3CC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CNC3=C2C=CC=C3CC

InChI

InChI=1S/C18H22N4O2S/c1-3-5-9-22-17(24)20-21-18(22)25-11-15(23)14-10-19-16-12(4-2)7-6-8-13(14)16/h6-8,10,19H,3-5,9,11H2,1-2H3,(H,20,24)