N-dibenzofuran-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-dibenzofuran-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-dibenzofuran-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(2-dibenzofuranyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-dibenzofuran-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-dibenzofuran-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C22H15N5O4S MolecularWeight: 445.4506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O4S/c1-26-12-23-25-22(26)32-20-9-6-13(10-17(20)27(29)30)21(28)24-14-7-8-19-16(11-14)15-4-2-3-5-18(15)31-19/h2-12H,1H3,(H,24,28)