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

Systemtic Name: N-[2-[4-methyl-5-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-methyl-5-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-methyl-5-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-methyl-5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[5-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-furamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCNC(=O)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCNC(=O)C3=CC=CO3

InChI

InChI=1S/C18H17N5O5S/c1-22-16(8-9-19-17(25)15-3-2-10-28-15)20-21-18(22)29-11-14(24)12-4-6-13(7-5-12)23(26)27/h2-7,10H,8-9,11H2,1H3,(H,19,25)