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

Systemtic Name: 2-phenyl-3-(phenylmethylsulfanyl)-1-benzothiophene Openeye Name: 3-benzylsulfanyl-2-phenyl-benzothiophene CAS Name: 2-phenyl-3-(phenylmethylthio)-1-benzothiophene IUPAC Name: 3-benzylsulfanyl-2-phenyl-1-benzothiophene Traditional Name: 3-(benzylthio)-2-phenyl-benzothiophene Formula: C21H16S2 MolecularWeight: 332.48174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(SC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(SC3=CC=CC=C32)C4=CC=CC=C4

InChI

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