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

Systemtic Name: N-[[5-[2-oxidanylidene-2-(1-phenylethylamino)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-(1-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-oxo-2-(1-phenylethylamino)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-(1-phenylethylamino)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:

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CO3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C21H23N5O3S/c1-3-11-26-18(13-22-20(28)17-10-7-12-29-17)24-25-21(26)30-14-19(27)23-15(2)16-8-5-4-6-9-16/h3-10,12,15H,1,11,13-14H2,2H3,(H,22,28)(H,23,27)