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

Systemtic Name: 4-butyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C17H20N4O2S/c1-3-4-9-21-16(23)19-20-17(21)24-10-14(22)15-11(2)18-13-8-6-5-7-12(13)15/h5-8,18H,3-4,9-10H2,1-2H3,(H,19,23)