N-[[5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-allyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(phenethylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C21H23N5O3S/c1-2-12-26-18(14-23-20(28)17-9-6-13-29-17)24-25-21(26)30-15-19(27)22-11-10-16-7-4-3-5-8-16/h2-9,13H,1,10-12,14-15H2,(H,22,27)(H,23,28)