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

Systemtic Name: N-[2-(4-methylphenoxy)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(4-methylphenoxy)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-(4-methylphenoxy)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylphenoxy)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(4-methylphenoxy)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O4S/c1-15-7-10-17(11-8-15)32-20-6-4-3-5-18(20)25-22(29)16-9-12-21(19(13-16)28(30)31)33-23-26-24-14-27(23)2/h3-14H,1-2H3,(H,25,29)