2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-bromophenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-bromophenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-bromophenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylthio]-6-(4-bromophenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-6-(4-bromophenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylthio]-6-(4-bromophenyl)-4-phenyl-nicotinonitrile Formula: C27H18BrN3O3S2 MolecularWeight: 576.48412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCS(=O)(=O)C3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCS(=O)(=O)C3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H18BrN3O3S2/c28-20-12-10-19(11-13-20)24-16-21(18-6-2-1-3-7-18)22(17-29)26(30-24)35-14-15-36(32,33)27-31-23-8-4-5-9-25(23)34-27/h1-13,16H,14-15H2