4-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methylpyridin-3-yl)-2,4-bis(methylsulfanyl)butanamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methylpyridin-3-yl)-2,4-bis(methylsulfanyl)butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methyl-3-pyridyl)-2,4-bis(methylsulfanyl)butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-(6-methyl-3-pyridinyl)-2,4-bis(methylthio)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-methylpyridin-3-yl)-2,4-bis(methylsulfanyl)butanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-(6-methyl-3-pyridyl)-2,4-bis(methylthio)butyramide Formula: C19H21N3O2S3 MolecularWeight: 419.58394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)C(CC(SC)SC2=NC3=CC=CC=C3O2)SC

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)C(CC(SC)SC2=NC3=CC=CC=C3O2)SC

InChI

InChI=1S/C19H21N3O2S3/c1-12-8-9-13(11-20-12)21-18(23)16(25-2)10-17(26-3)27-19-22-14-6-4-5-7-15(14)24-19/h4-9,11,16-17H,10H2,1-3H3,(H,21,23)