4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CO3

InChI

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