6-(3-methylbutylsulfanyl)-2-pyridin-2-yl-1,3-benzothiazin-4-one

Systemtic Name: 6-(3-methylbutylsulfanyl)-2-pyridin-2-yl-1,3-benzothiazin-4-one Openeye Name: 6-isopentylsulfanyl-2-(2-pyridyl)-1,3-benzothiazin-4-one CAS Name: 6-(3-methylbutylthio)-2-(2-pyridinyl)-1,3-benzothiazin-4-one IUPAC Name: 6-(3-methylbutylsulfanyl)-2-pyridin-2-yl-1,3-benzothiazin-4-one Traditional Name: 6-(isoamylthio)-2-(2-pyridyl)-1,3-benzothiazin-4-one Formula: C18H18N2OS2 MolecularWeight: 342.47832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC2=C(C=C1)SC(=NC2=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)CCSC1=CC2=C(C=C1)SC(=NC2=O)C3=CC=CC=N3

InChI

InChI=1S/C18H18N2OS2/c1-12(2)8-10-22-13-6-7-16-14(11-13)17(21)20-18(23-16)15-5-3-4-9-19-15/h3-7,9,11-12H,8,10H2,1-2H3