3-[4-azanyl-5-oxidanylidene-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[4-azanyl-5-oxidanylidene-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[4-amino-5-oxo-3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[4-amino-5-oxo-3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[4-amino-5-oxo-3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[4-amino-5-keto-3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,2,4-triazin-6-yl]propionic acid Formula: C20H17N5O4S2 MolecularWeight: 455.51008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NN=C(C(=O)N4N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NN=C(C(=O)N4N)CCC(=O)O

InChI

InChI=1S/C20H17N5O4S2/c21-25-19(29)12(9-10-18(27)28)22-23-20(25)30-11-17(26)24-13-5-1-3-7-15(13)31-16-8-4-2-6-14(16)24/h1-8H,9-11,21H2,(H,27,28)