1-isothiocyanato-4-nitro-2-propan-2-yl-benzene

Systemtic Name: 1-isothiocyanato-4-nitro-2-propan-2-yl-benzene Openeye Name: 2-isopropyl-1-isothiocyanato-4-nitro-benzene CAS Name: 1-isothiocyanato-4-nitro-2-propan-2-ylbenzene IUPAC Name: 1-isothiocyanato-4-nitro-2-propan-2-ylbenzene Traditional Name: 2-isopropyl-1-isothiocyanato-4-nitro-benzene Formula: C10H10N2O2S MolecularWeight: 222.2636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)[N+](=O)[O-])N=C=S

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)[N+](=O)[O-])N=C=S

InChI

InChI=1S/C10H10N2O2S/c1-7(2)9-5-8(12(13)14)3-4-10(9)11-6-15/h3-5,7H,1-2H3