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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C14H16BrN3O2S/c1-9(2)18-8-16-17-14(18)21-7-12(19)10-4-5-13(20-3)11(15)6-10/h4-6,8-9H,7H2,1-3H3