3-bromanylbenzenethiol; 1-bromanyl-3-butylsulfanyl-benzene

Systemtic Name: 3-bromanylbenzenethiol; 1-bromanyl-3-butylsulfanyl-benzene Openeye Name: 3-bromobenzenethiol; 1-bromo-3-butylsulfanyl-benzene CAS Name: 3-bromobenzenethiol; 1-bromo-3-(butylthio)benzene IUPAC Name: 3-bromobenzenethiol; 1-bromo-3-butylsulfanylbenzene Traditional Name: 3-bromobenzenethiol; 1-bromo-3-(butylthio)benzene Formula: C16H18Br2S2 MolecularWeight: 434.25212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CC=C1)Br.C1=CC(=CC(=C1)Br)S

Isomeric SMILES

CCCCSC1=CC(=CC=C1)Br.C1=CC(=CC(=C1)Br)S

InChI

InChI=1S/C10H13BrS.C6H5BrS/c1-2-3-7-12-10-6-4-5-9(11)8-10;7-5-2-1-3-6(8)4-5/h4-6,8H,2-3,7H2,1H3;1-4,8H