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

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylthio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylthio]-4,6-diphenyl-nicotinonitrile Formula: C27H19N3O3S2 MolecularWeight: 497.58806

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H19N3O3S2/c28-18-22-21(19-9-3-1-4-10-19)17-24(20-11-5-2-6-12-20)29-26(22)34-15-16-35(31,32)27-30-23-13-7-8-14-25(23)33-27/h1-14,17H,15-16H2