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

Systemtic Name: 6-chloranyl-7-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C14H11ClN2O2S3 MolecularWeight: 370.89734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)SC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(S3)SC)Cl

InChI

InChI=1S/C14H11ClN2O2S3/c1-7-3-11-9(5-10(7)15)8(4-12(18)19-11)6-21-14-17-16-13(20-2)22-14/h3-5H,6H2,1-2H3