5-nitro-2-(phenylmethylsulfanyl)-1,3-benzothiazole

Systemtic Name: 5-nitro-2-(phenylmethylsulfanyl)-1,3-benzothiazole Openeye Name: 2-benzylsulfanyl-5-nitro-1,3-benzothiazole CAS Name: 5-nitro-2-(phenylmethylthio)-1,3-benzothiazole IUPAC Name: 2-benzylsulfanyl-5-nitro-1,3-benzothiazole Traditional Name: 2-(benzylthio)-5-nitro-1,3-benzothiazole Formula: C14H10N2O2S2 MolecularWeight: 302.3714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O2S2/c17-16(18)11-6-7-13-12(8-11)15-14(20-13)19-9-10-4-2-1-3-5-10/h1-8H,9H2