1,5-ditert-butyl-2-isothiocyanato-3-methyl-benzene

Systemtic Name: 1,5-ditert-butyl-2-isothiocyanato-3-methyl-benzene Openeye Name: 1,5-ditert-butyl-2-isothiocyanato-3-methyl-benzene CAS Name: 1,5-ditert-butyl-2-isothiocyanato-3-methylbenzene IUPAC Name: 1,5-ditert-butyl-2-isothiocyanato-3-methylbenzene Traditional Name: 1,5-ditert-butyl-2-isothiocyanato-3-methyl-benzene Formula: C16H23NS MolecularWeight: 261.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NS/c1-11-8-12(15(2,3)4)9-13(16(5,6)7)14(11)17-10-18/h8-9H,1-7H3