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

Systemtic Name: 3-[4-azanyl-5-oxidanylidene-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[4-amino-3-(2-anilino-2-oxo-ethyl)sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[4-amino-3-[(2-anilino-2-oxoethyl)thio]-5-oxo-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[4-amino-3-(2-anilino-2-oxoethyl)sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[4-amino-3-[(2-anilino-2-keto-ethyl)thio]-5-keto-1,2,4-triazin-6-yl]propionate Formula: C14H14N5O4S- MolecularWeight: 348.35706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O4S/c15-19-13(23)10(6-7-12(21)22)17-18-14(19)24-8-11(20)16-9-4-2-1-3-5-9/h1-5H,6-8,15H2,(H,16,20)(H,21,22)/p-1