3-[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one

Systemtic Name: 3-[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one Openeye Name: 3-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one CAS Name: 3-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-6-nitrochromen-2-one Traditional Name: 3-[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]-6-nitro-coumarin Formula: C18H12N4O5S MolecularWeight: 396.37668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H12N4O5S/c1-26-13-4-2-3-11(9-13)19-18-21-20-16(28-18)14-8-10-7-12(22(24)25)5-6-15(10)27-17(14)23/h2-9H,1H3,(H,19,21)