3-[3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[2-[5-(2-methylthiazol-4-yl)-2-thienyl]ethylamino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[2-[5-(2-methyl-4-thiazolyl)-2-thiophenyl]ethylamino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[2-[5-(2-methylthiazol-4-yl)-2-thienyl]ethylamino]propyl]phthalazin-1-olate Formula: C21H19N4O3S2- MolecularWeight: 439.53056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(S2)CCNC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(S2)CCNC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C21H20N4O3S2/c1-13-23-17(12-29-13)18-7-6-14(30-18)8-10-22-19(26)9-11-25-21(28)16-5-3-2-4-15(16)20(27)24-25/h2-7,12H,8-11H2,1H3,(H,22,26)(H,24,27)/p-1