3-phenyl-4-(phenylmethylsulfanyl)-1-benzothiophene

Systemtic Name: 3-phenyl-4-(phenylmethylsulfanyl)-1-benzothiophene Openeye Name: 4-benzylsulfanyl-3-phenyl-benzothiophene CAS Name: 3-phenyl-4-(phenylmethylthio)-1-benzothiophene IUPAC Name: 4-benzylsulfanyl-3-phenyl-1-benzothiophene Traditional Name: 4-(benzylthio)-3-phenyl-benzothiophene Formula: C21H16S2 MolecularWeight: 332.48174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16S2/c1-3-8-16(9-4-1)14-22-19-12-7-13-20-21(19)18(15-23-20)17-10-5-2-6-11-17/h1-13,15H,14H2