1-bromanyl-4-(2-phenylsulfanylbut-3-yn-2-yl)benzene

Systemtic Name: 1-bromanyl-4-(2-phenylsulfanylbut-3-yn-2-yl)benzene Openeye Name: 1-bromo-4-(1-methyl-1-phenylsulfanyl-prop-2-ynyl)benzene CAS Name: 1-bromo-4-[2-(phenylthio)but-3-yn-2-yl]benzene IUPAC Name: 1-bromo-4-(2-phenylsulfanylbut-3-yn-2-yl)benzene Traditional Name: 1-bromo-4-[1-methyl-1-(phenylthio)prop-2-ynyl]benzene Formula: C16H13BrS MolecularWeight: 317.24342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)(C1=CC=C(C=C1)Br)SC2=CC=CC=C2

Isomeric SMILES

CC(C#C)(C1=CC=C(C=C1)Br)SC2=CC=CC=C2

InChI

InChI=1S/C16H13BrS/c1-3-16(2,13-9-11-14(17)12-10-13)18-15-7-5-4-6-8-15/h1,4-12H,2H3