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

Systemtic Name: 6-nitro-2-phenyl-4-(phenylmethylsulfanyl)-1-benzothiophene Openeye Name: 4-benzylsulfanyl-6-nitro-2-phenyl-benzothiophene CAS Name: 6-nitro-2-phenyl-4-(phenylmethylthio)-1-benzothiophene IUPAC Name: 4-benzylsulfanyl-6-nitro-2-phenyl-1-benzothiophene Traditional Name: 4-(benzylthio)-6-nitro-2-phenyl-benzothiophene Formula: C21H15NO2S2 MolecularWeight: 377.4793

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO2S2/c23-22(24)17-11-20(25-14-15-7-3-1-4-8-15)18-13-19(26-21(18)12-17)16-9-5-2-6-10-16/h1-13H,14H2