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

Systemtic Name: 4-tert-butyl-1-isothiocyanato-2-methyl-benzene Openeye Name: 4-tert-butyl-1-isothiocyanato-2-methyl-benzene CAS Name: 4-tert-butyl-1-isothiocyanato-2-methylbenzene IUPAC Name: 4-tert-butyl-1-isothiocyanato-2-methylbenzene Traditional Name: 4-tert-butyl-1-isothiocyanato-2-methyl-benzene Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)N=C=S

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)N=C=S

InChI

InChI=1S/C12H15NS/c1-9-7-10(12(2,3)4)5-6-11(9)13-8-14/h5-7H,1-4H3