5-(4-methoxy-2-nitro-phenyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]furan-2-carboxamide

Systemtic Name: 5-(4-methoxy-2-nitro-phenyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]furan-2-carboxamide Openeye Name: 5-(4-methoxy-2-nitro-phenyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]furan-2-carboxamide CAS Name: 5-(4-methoxy-2-nitrophenyl)-N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-2-furancarboxamide IUPAC Name: 5-(4-methoxy-2-nitrophenyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]furan-2-carboxamide Traditional Name: 5-(4-methoxy-2-nitro-phenyl)-N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-2-furamide Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5S/c1-13-23-22(26-25-13)33-12-14-3-5-15(6-4-14)24-21(28)20-10-9-19(32-20)17-8-7-16(31-2)11-18(17)27(29)30/h3-11H,12H2,1-2H3,(H,24,28)(H,23,25,26)