1-tert-butyl-3-isothiocyanato-benzene

Systemtic Name: 1-tert-butyl-3-isothiocyanato-benzene Openeye Name: 1-tert-butyl-3-isothiocyanato-benzene CAS Name: 1-tert-butyl-3-isothiocyanatobenzene IUPAC Name: 1-tert-butyl-3-isothiocyanatobenzene Traditional Name: 1-tert-butyl-3-isothiocyanato-benzene Formula: C11H13NS MolecularWeight: 191.29262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NS/c1-11(2,3)9-5-4-6-10(7-9)12-8-13/h4-7H,1-3H3