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

Systemtic Name: 3-bromanyl-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-methoxy-benzamide Openeye Name: 3-bromo-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-methoxy-benzamide CAS Name: 3-bromo-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-methoxybenzamide Traditional Name: 3-bromo-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-4-methoxy-benzamide Formula: C13H15BrN4O2S MolecularWeight: 371.2528

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)OC)Br)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)OC)Br)C

InChI

InChI=1S/C13H15BrN4O2S/c1-4-21-13-16-15-8(2)18(13)17-12(19)9-5-6-11(20-3)10(14)7-9/h5-7H,4H2,1-3H3,(H,17,19)