3-chloranyl-6-nitro-4-(phenylmethylsulfanyl)-1,2-benzothiazole

Systemtic Name: 3-chloranyl-6-nitro-4-(phenylmethylsulfanyl)-1,2-benzothiazole Openeye Name: 4-benzylsulfanyl-3-chloro-6-nitro-1,2-benzothiazole CAS Name: 3-chloro-6-nitro-4-(phenylmethylthio)-1,2-benzothiazole IUPAC Name: 4-benzylsulfanyl-3-chloro-6-nitro-1,2-benzothiazole Traditional Name: 4-(benzylthio)-3-chloro-6-nitro-1,2-benzothiazole Formula: C14H9ClN2O2S2 MolecularWeight: 336.81646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC3=C2C(=NS3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC3=C2C(=NS3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN2O2S2/c15-14-13-11(20-8-9-4-2-1-3-5-9)6-10(17(18)19)7-12(13)21-16-14/h1-7H,8H2