3-[2-(phenylmethyl)cyclohexa-1,5-dien-1-yl]-1-benzothiophene

Systemtic Name: 3-[2-(phenylmethyl)cyclohexa-1,5-dien-1-yl]-1-benzothiophene Openeye Name: 3-(2-benzylcyclohexa-1,5-dien-1-yl)benzothiophene CAS Name: 3-[2-(phenylmethyl)-1-cyclohexa-1,5-dienyl]-1-benzothiophene IUPAC Name: 3-(2-benzylcyclohexa-1,5-dien-1-yl)-1-benzothiophene Traditional Name: 3-(2-benzylcyclohexa-1,5-dien-1-yl)benzothiophene Formula: C21H18S MolecularWeight: 302.43262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)C2=CSC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C=C1)C2=CSC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H18S/c1-2-8-16(9-3-1)14-17-10-4-5-11-18(17)20-15-22-21-13-7-6-12-19(20)21/h1-3,5-9,11-13,15H,4,10,14H2