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

Systemtic Name: 3-bromanyl-4-methoxy-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-methoxy-benzamide CAS Name: 3-bromo-4-methoxy-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-methoxybenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-bromo-4-methoxy-benzamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)OC)Br)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)OC)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17BrN4O2S/c1-12-20-21-18(26-11-13-6-4-3-5-7-13)23(12)22-17(24)14-8-9-16(25-2)15(19)10-14/h3-10H,11H2,1-2H3,(H,22,24)