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

Systemtic Name: 3-bromanyl-4-ethoxy-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)-3-bromo-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-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)-3-bromo-4-ethoxybenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-bromo-4-ethoxy-benzamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NN2C(=NN=C2SCC3=CC=CC=C3)C)Br

InChI

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