2-(2-nitro-1-phenyl-ethyl)sulfanyl-1,3-benzothiazole

Systemtic Name: 2-(2-nitro-1-phenyl-ethyl)sulfanyl-1,3-benzothiazole Openeye Name: 2-(2-nitro-1-phenyl-ethyl)sulfanyl-1,3-benzothiazole CAS Name: 2-[(2-nitro-1-phenylethyl)thio]-1,3-benzothiazole IUPAC Name: 2-(2-nitro-1-phenylethyl)sulfanyl-1,3-benzothiazole Traditional Name: 2-[(2-nitro-1-phenyl-ethyl)thio]-1,3-benzothiazole Formula: C15H12N2O2S2 MolecularWeight: 316.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H12N2O2S2/c18-17(19)10-14(11-6-2-1-3-7-11)21-15-16-12-8-4-5-9-13(12)20-15/h1-9,14H,10H2