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

Systemtic Name: N-[[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-allyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C19H17N5O5S MolecularWeight: 427.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CNC(=O)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CNC(=O)C3=CC=CO3

InChI

InChI=1S/C19H17N5O5S/c1-2-8-23-17(11-20-18(26)16-7-4-9-29-16)21-22-19(23)30-12-15(25)13-5-3-6-14(10-13)24(27)28/h2-7,9-10H,1,8,11-12H2,(H,20,26)