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

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-chloranyl-chromen-2-one Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-chloro-chromen-2-one CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-chloro-1-benzopyran-2-one IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-chlorochromen-2-one Traditional Name: 6-chloro-3-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C19H12ClN3O4S MolecularWeight: 413.83428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)C4=CC5=C(C=CC(=C5)Cl)OC4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)C4=CC5=C(C=CC(=C5)Cl)OC4=O

InChI

InChI=1S/C19H12ClN3O4S/c20-12-2-4-14-11(6-12)7-13(18(24)27-14)17-22-23-19(28-17)21-8-10-1-3-15-16(5-10)26-9-25-15/h1-7H,8-9H2,(H,21,23)