1-chloranyl-5-isothiocyanato-4-methyl-2-nitro-benzene

Systemtic Name: 1-chloranyl-5-isothiocyanato-4-methyl-2-nitro-benzene Openeye Name: 1-chloro-5-isothiocyanato-4-methyl-2-nitro-benzene CAS Name: 1-chloro-5-isothiocyanato-4-methyl-2-nitrobenzene IUPAC Name: 1-chloro-5-isothiocyanato-4-methyl-2-nitrobenzene Traditional Name: 1-chloro-5-isothiocyanato-4-methyl-2-nitro-benzene Formula: C8H5ClN2O2S MolecularWeight: 228.6555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=C=S)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1N=C=S)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H5ClN2O2S/c1-5-2-8(11(12)13)6(9)3-7(5)10-4-14/h2-3H,1H3