(3-bromanyl-4-chloranyl-phenyl)sulfonylmethanethiol; methylbenzene

Systemtic Name: (3-bromanyl-4-chloranyl-phenyl)sulfonylmethanethiol; methylbenzene Openeye Name: (3-bromo-4-chloro-phenyl)sulfonylmethanethiol; toluene CAS Name: (3-bromo-4-chlorophenyl)sulfonylmethanethiol; toluene IUPAC Name: (3-bromo-4-chlorophenyl)sulfonylmethanethiol; toluene Traditional Name: (3-bromo-4-chloro-phenyl)sulfonylmethanethiol; toluene Formula: C14H14BrClO2S2 MolecularWeight: 393.74676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC(=C(C=C1S(=O)(=O)CS)Br)Cl

Isomeric SMILES

CC1=CC=CC=C1.C1=CC(=C(C=C1S(=O)(=O)CS)Br)Cl

InChI

InChI=1S/C7H6BrClO2S2.C7H8/c8-6-3-5(1-2-7(6)9)13(10,11)4-12;1-7-5-3-2-4-6-7/h1-3,12H,4H2;2-6H,1H3