3-[4-azanyl-5-oxidanylidene-3-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[4-azanyl-5-oxidanylidene-3-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-3-[2-(N-isopropylanilino)-2-oxo-ethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-5-oxo-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]thio]-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-5-oxo-3-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-3-[[2-(N-isopropylanilino)-2-keto-ethyl]thio]-5-keto-1,2,4-triazin-6-yl]propionate Formula: C17H20N5O4S- MolecularWeight: 390.4368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-11(2)21(12-6-4-3-5-7-12)14(23)10-27-17-20-19-13(8-9-15(24)25)16(26)22(17)18/h3-7,11H,8-10,18H2,1-2H3,(H,24,25)/p-1