3-[4-azanyl-3-[(3,5-dimethylphenyl)methylsulfanyl]-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[4-azanyl-3-[(3,5-dimethylphenyl)methylsulfanyl]-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[4-amino-3-[(3,5-dimethylphenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[4-amino-3-[(3,5-dimethylphenyl)methylthio]-5-oxo-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[4-amino-3-[(3,5-dimethylphenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[4-amino-3-[(3,5-dimethylbenzyl)thio]-5-keto-1,2,4-triazin-6-yl]propionic acid Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=C(C(=O)N2N)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=C(C(=O)N2N)CCC(=O)O)C

InChI

InChI=1S/C15H18N4O3S/c1-9-5-10(2)7-11(6-9)8-23-15-18-17-12(3-4-13(20)21)14(22)19(15)16/h5-7H,3-4,8,16H2,1-2H3,(H,20,21)