5-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C16H9ClN4O3S2 MolecularWeight: 404.85066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C16H9ClN4O3S2/c17-10-4-5-13-12(7-10)18-16(26-13)25-8-14-19-15(20-24-14)9-2-1-3-11(6-9)21(22)23/h1-7H,8H2