2-tert-butyl-4-iodanyl-1-isothiocyanato-benzene

Systemtic Name: 2-tert-butyl-4-iodanyl-1-isothiocyanato-benzene Openeye Name: 2-tert-butyl-4-iodo-1-isothiocyanato-benzene CAS Name: 2-tert-butyl-4-iodo-1-isothiocyanatobenzene IUPAC Name: 2-tert-butyl-4-iodo-1-isothiocyanatobenzene Traditional Name: 2-tert-butyl-4-iodo-1-isothiocyanato-benzene Formula: C11H12INS MolecularWeight: 317.18915

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)I)N=C=S

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)I)N=C=S

InChI

InChI=1S/C11H12INS/c1-11(2,3)9-6-8(12)4-5-10(9)13-7-14/h4-6H,1-3H3