4-methyl-7-[3-oxidanyl-1,4-bis(1,2,4-triazol-1-yl)butan-2-yl]-1,4-benzothiazin-3-one

Systemtic Name: 4-methyl-7-[3-oxidanyl-1,4-bis(1,2,4-triazol-1-yl)butan-2-yl]-1,4-benzothiazin-3-one Openeye Name: 7-[2-hydroxy-3-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)propyl]-4-methyl-1,4-benzothiazin-3-one CAS Name: 7-[3-hydroxy-1,4-bis(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 7-[3-hydroxy-1,4-bis(1,2,4-triazol-1-yl)butan-2-yl]-4-methyl-1,4-benzothiazin-3-one Traditional Name: 7-[2-hydroxy-3-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)propyl]-4-methyl-1,4-benzothiazin-3-one Formula: C17H19N7O2S MolecularWeight: 385.44346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CSC2=C1C=CC(=C2)C(CN3C=NC=N3)C(CN4C=NC=N4)O

Isomeric SMILES

CN1C(=O)CSC2=C1C=CC(=C2)C(CN3C=NC=N3)C(CN4C=NC=N4)O

InChI

InChI=1S/C17H19N7O2S/c1-22-14-3-2-12(4-16(14)27-7-17(22)26)13(5-23-10-18-8-20-23)15(25)6-24-11-19-9-21-24/h2-4,8-11,13,15,25H,5-7H2,1H3