2-(3-bromanyl-4-isothiocyanato-phenyl)-2-methyl-1,3-dithiolane

Systemtic Name: 2-(3-bromanyl-4-isothiocyanato-phenyl)-2-methyl-1,3-dithiolane Openeye Name: 2-(3-bromo-4-isothiocyanato-phenyl)-2-methyl-1,3-dithiolane CAS Name: 2-(3-bromo-4-isothiocyanatophenyl)-2-methyl-1,3-dithiolane IUPAC Name: 2-(3-bromo-4-isothiocyanatophenyl)-2-methyl-1,3-dithiolane Traditional Name: 2-(3-bromo-4-isothiocyanato-phenyl)-2-methyl-1,3-dithiolane Formula: C11H10BrNS3 MolecularWeight: 332.3028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(SCCS1)C2=CC(=C(C=C2)N=C=S)Br

Isomeric SMILES

CC1(SCCS1)C2=CC(=C(C=C2)N=C=S)Br

InChI

InChI=1S/C11H10BrNS3/c1-11(15-4-5-16-11)8-2-3-10(13-7-14)9(12)6-8/h2-3,6H,4-5H2,1H3