1-(3-bromanyl-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)Br

InChI

InChI=1S/C19H17BrN4O2S/c1-26-17-5-2-13(10-15(17)20)16(25)11-27-19-23-22-18(24(19)14-3-4-14)12-6-8-21-9-7-12/h2,5-10,14H,3-4,11H2,1H3