6-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C14H13N3O3S3 MolecularWeight: 367.46632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(S3)SC

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(S3)SC

InChI

InChI=1S/C14H13N3O3S3/c1-7(22-14-17-16-13(21-2)23-14)12(19)8-3-4-10-9(5-8)15-11(18)6-20-10/h3-5,7H,6H2,1-2H3,(H,15,18)