3-chloranyl-6-nitro-2-phenyl-4-(phenylmethylsulfanyl)-1-benzothiophene

Systemtic Name: 3-chloranyl-6-nitro-2-phenyl-4-(phenylmethylsulfanyl)-1-benzothiophene Openeye Name: 4-benzylsulfanyl-3-chloro-6-nitro-2-phenyl-benzothiophene CAS Name: 3-chloro-6-nitro-2-phenyl-4-(phenylmethylthio)-1-benzothiophene IUPAC Name: 4-benzylsulfanyl-3-chloro-6-nitro-2-phenyl-1-benzothiophene Traditional Name: 4-(benzylthio)-3-chloro-6-nitro-2-phenyl-benzothiophene Formula: C21H14ClNO2S2 MolecularWeight: 411.92436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC3=C2C(=C(S3)C4=CC=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC3=C2C(=C(S3)C4=CC=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClNO2S2/c22-20-19-17(26-13-14-7-3-1-4-8-14)11-16(23(24)25)12-18(19)27-21(20)15-9-5-2-6-10-15/h1-12H,13H2