3-[5-[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(dibenzofuran-2-ylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(2-dibenzofuranylamino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(dibenzofuran-2-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(dibenzofuran-2-ylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43)CCC(=O)N

InChI

InChI=1S/C20H19N5O3S/c1-25-18(9-8-17(21)26)23-24-20(25)29-11-19(27)22-12-6-7-16-14(10-12)13-4-2-3-5-15(13)28-16/h2-7,10H,8-9,11H2,1H3,(H2,21,26)(H,22,27)