N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-nitro-furan-2-carboxamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-5-nitro-2-furamide Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=C(O2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=C(O2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C15H13N5O4S/c1-10-16-17-15(25-9-11-5-3-2-4-6-11)19(10)18-14(21)12-7-8-13(24-12)20(22)23/h2-8H,9H2,1H3,(H,18,21)