7-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C14H12N2O2S3 MolecularWeight: 336.45228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)SC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)SC

InChI

InChI=1S/C14H12N2O2S3/c1-8-3-4-10-9(6-12(17)18-11(10)5-8)7-20-14-16-15-13(19-2)21-14/h3-6H,7H2,1-2H3