N-[2-[(5-bromanyl-2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-[(5-bromanyl-2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-[(5-bromo-2-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3,4,5-trimethoxy-benzamide Formula: C19H19BrN4O4S MolecularWeight: 479.34756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)Br)SC2=CC=CC=C2NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C(=NC(=N1)Br)SC2=CC=CC=C2NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C19H19BrN4O4S/c1-24-19(22-18(20)23-24)29-15-8-6-5-7-12(15)21-17(25)11-9-13(26-2)16(28-4)14(10-11)27-3/h5-10H,1-4H3,(H,21,25)