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

Systemtic Name: N-[4-(3-cyanopyridin-2-yl)oxy-2-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[4-[(3-cyano-2-pyridyl)oxy]-2-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[4-(3-cyanopyridin-2-yl)oxy-2-methylphenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[4-[(3-cyano-2-pyridyl)oxy]-2-methyl-phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C23H17N7O4S MolecularWeight: 487.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C23H17N7O4S/c1-14-10-17(34-22-16(12-24)4-3-9-25-22)6-7-18(14)27-21(31)15-5-8-20(19(11-15)30(32)33)35-23-28-26-13-29(23)2/h3-11,13H,1-2H3,(H,27,31)