5-bromanyl-2-methoxy-3-methyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C)OC

InChI

InChI=1S/C19H19BrN4O2S/c1-12-9-15(20)10-16(17(12)26-3)18(25)23-24-13(2)21-22-19(24)27-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,23,25)