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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(5-isopropyl-1H-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)C1=NC(=NN1)SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

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