1-ethenyl-3-[3-ethynylsulfonyl-5-(phenylmethyl)phenyl]-5-[2-(7-phenylheptyl)phenyl]pyridine-4-thione

Systemtic Name: 1-ethenyl-3-[3-ethynylsulfonyl-5-(phenylmethyl)phenyl]-5-[2-(7-phenylheptyl)phenyl]pyridine-4-thione Openeye Name: 3-(3-benzyl-5-ethynylsulfonyl-phenyl)-5-[2-(7-phenylheptyl)phenyl]-1-vinyl-pyridine-4-thione CAS Name: 1-ethenyl-3-[3-ethynylsulfonyl-5-(phenylmethyl)phenyl]-5-[2-(7-phenylheptyl)phenyl]-4-pyridinethione IUPAC Name: 3-(3-benzyl-5-ethynylsulfonylphenyl)-1-ethenyl-5-[2-(7-phenylheptyl)phenyl]pyridine-4-thione Traditional Name: 3-(3-benzyl-5-ethynylsulfonyl-phenyl)-5-[2-(7-phenylheptyl)phenyl]-1-vinyl-pyridine-4-thione Formula: C41H39NO2S2 MolecularWeight: 641.88386

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Descriptors Computed from Structure

Canonical SMILES:

C=CN1C=C(C(=S)C(=C1)C2=CC(=CC(=C2)S(=O)(=O)C#C)CC3=CC=CC=C3)C4=CC=CC=C4CCCCCCCC5=CC=CC=C5

Isomeric SMILES

C=CN1C=C(C(=S)C(=C1)C2=CC(=CC(=C2)S(=O)(=O)C#C)CC3=CC=CC=C3)C4=CC=CC=C4CCCCCCCC5=CC=CC=C5

InChI

InChI=1S/C41H39NO2S2/c1-3-42-30-39(36-27-34(26-33-21-13-9-14-22-33)28-37(29-36)46(43,44)4-2)41(45)40(31-42)38-25-17-16-24-35(38)23-15-7-5-6-10-18-32-19-11-8-12-20-32/h2-3,8-9,11-14,16-17,19-22,24-25,27-31H,1,5-7,10,15,18,23,26H2