2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[2-(1,3-benzoxazol-2-ylsulfonyl)ethylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCCS(=O)(=O)C3=NC4=CC=CC=C4O3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCCS(=O)(=O)C3=NC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C19H17N3O3S2/c20-12-14-11-13-5-1-2-6-15(13)21-18(14)26-9-10-27(23,24)19-22-16-7-3-4-8-17(16)25-19/h3-4,7-8,11H,1-2,5-6,9-10H2