9-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-2-methylsulfanyl-pyridin-3-yl)nonanamide

Systemtic Name: 9-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-2-methylsulfanyl-pyridin-3-yl)nonanamide Openeye Name: 9-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-2-methylsulfanyl-3-pyridyl)nonanamide CAS Name: 9-(1,3-benzoxazol-2-ylthio)-N-[6-methyl-2-(methylthio)-3-pyridinyl]nonanamide IUPAC Name: 9-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-2-methylsulfanylpyridin-3-yl)nonanamide Traditional Name: 9-(1,3-benzoxazol-2-ylthio)-N-[6-methyl-2-(methylthio)-3-pyridyl]pelargonamide Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)NC(=O)CCCCCCCCSC2=NC3=CC=CC=C3O2)SC

Isomeric SMILES

CC1=NC(=C(C=C1)NC(=O)CCCCCCCCSC2=NC3=CC=CC=C3O2)SC

InChI

InChI=1S/C23H29N3O2S2/c1-17-14-15-19(22(24-17)29-2)25-21(27)13-7-5-3-4-6-10-16-30-23-26-18-11-8-9-12-20(18)28-23/h8-9,11-12,14-15H,3-7,10,13,16H2,1-2H3,(H,25,27)