1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitro-benzene

Systemtic Name: 1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitro-benzene Openeye Name: 1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitro-benzene CAS Name: 1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitrobenzene IUPAC Name: 1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitrobenzene Traditional Name: 1-tert-butyl-2-isothiocyanato-3,4,5-trimethyl-6-nitro-benzene Formula: C14H18N2O2S MolecularWeight: 278.36992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)N=C=S)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)N=C=S)C

InChI

InChI=1S/C14H18N2O2S/c1-8-9(2)12(15-7-19)11(14(4,5)6)13(10(8)3)16(17)18/h1-6H3