4-[2-[[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C16H18N5O3S- MolecularWeight: 360.41082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NC2=CC3=C(C=C2)OC(C(=O)N3)C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)NC2=CC3=C(C=C2)O[C@@H](C(=O)N3)C)[S-]

InChI

InChI=1S/C16H19N5O3S/c1-3-4-13-19-20-16(25)21(13)8-14(22)17-10-5-6-12-11(7-10)18-15(23)9(2)24-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,22)(H,18,23)(H,20,25)/p-1/t9-/m1/s1