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

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylthio]-4,6-dimethyl-nicotinonitrile Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)C2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)C2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C17H15N3O3S2/c1-11-9-12(2)19-16(13(11)10-18)24-7-8-25(21,22)17-20-14-5-3-4-6-15(14)23-17/h3-6,9H,7-8H2,1-2H3