6-[(2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4S/c1-13(19(27)15-7-8-17-16(11-15)22-18(26)12-29-17)30-21-24-23-20(28)25(21)10-9-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,26)(H,23,28)/t13-/m0/s1