4-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]butanamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]butanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]butyramide Formula: C21H25N3O2S3 MolecularWeight: 447.6371

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC(=C1NC(=O)CCCSC2=NC3=CC=CC=C3O2)SCC)C

Isomeric SMILES

CCSC1=CC(=NC(=C1NC(=O)CCCSC2=NC3=CC=CC=C3O2)SCC)C

InChI

InChI=1S/C21H25N3O2S3/c1-4-27-17-13-14(3)22-20(28-5-2)19(17)24-18(25)11-8-12-29-21-23-15-9-6-7-10-16(15)26-21/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,24,25)