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

Systemtic Name: 6-chloranyl-3-[5-[(3,4-dimethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]chromen-2-one Openeye Name: 6-chloro-3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one CAS Name: 6-chloro-3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one Traditional Name: 6-chloro-3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C19H14ClN3O4S MolecularWeight: 415.85016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Cl)OC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)Cl)OC3=O)OC

InChI

InChI=1S/C19H14ClN3O4S/c1-25-15-6-4-12(9-16(15)26-2)21-19-23-22-17(28-19)13-8-10-7-11(20)3-5-14(10)27-18(13)24/h3-9H,1-2H3,(H,21,23)