2-[2-(phenylmethylsulfanyl)cyclohexa-1,5-dien-1-yl]-1-benzothiophene

Systemtic Name: 2-[2-(phenylmethylsulfanyl)cyclohexa-1,5-dien-1-yl]-1-benzothiophene Openeye Name: 2-(2-benzylsulfanylcyclohexa-1,5-dien-1-yl)benzothiophene CAS Name: 2-[2-(phenylmethylthio)-1-cyclohexa-1,5-dienyl]-1-benzothiophene IUPAC Name: 2-(2-benzylsulfanylcyclohexa-1,5-dien-1-yl)-1-benzothiophene Traditional Name: 2-[2-(benzylthio)cyclohexa-1,5-dien-1-yl]benzothiophene Formula: C21H18S2 MolecularWeight: 334.49762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)C2=CC3=CC=CC=C3S2)SCC4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C=C1)C2=CC3=CC=CC=C3S2)SCC4=CC=CC=C4

InChI

InChI=1S/C21H18S2/c1-2-8-16(9-3-1)15-22-20-13-7-5-11-18(20)21-14-17-10-4-6-12-19(17)23-21/h1-6,8-12,14H,7,13,15H2