6-ethyl-7-oxidanyl-4-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]coumarin Formula: C20H16N2O3S3 MolecularWeight: 428.54764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN(C(=S)S3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN(C(=S)S3)C4=CC=CC=C4)O

InChI

InChI=1S/C20H16N2O3S3/c1-2-12-8-15-13(9-18(24)25-17(15)10-16(12)23)11-27-19-21-22(20(26)28-19)14-6-4-3-5-7-14/h3-10,23H,2,11H2,1H3