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

Systemtic Name: 6-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C19H15N3O3S3 MolecularWeight: 429.5357

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN(C(=S)S3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN(C(=S)S3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O3S3/c1-11(17(24)12-7-8-15-14(9-12)20-16(23)10-25-15)27-18-21-22(19(26)28-18)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,23)