2-(4-methyl-3-nitro-phenyl)-1,3-benzothiazole

Systemtic Name: 2-(4-methyl-3-nitro-phenyl)-1,3-benzothiazole Openeye Name: 2-(4-methyl-3-nitro-phenyl)-1,3-benzothiazole CAS Name: 2-(4-methyl-3-nitrophenyl)-1,3-benzothiazole IUPAC Name: 2-(4-methyl-3-nitrophenyl)-1,3-benzothiazole Traditional Name: 2-(4-methyl-3-nitro-phenyl)-1,3-benzothiazole Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O2S/c1-9-6-7-10(8-12(9)16(17)18)14-15-11-4-2-3-5-13(11)19-14/h2-8H,1H3