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

Systemtic Name: 6-chloranyl-7-methyl-4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-4-[(5-isobutylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[5-(2-methylpropylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-4-[[[5-(isobutylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C17H17ClN2O2S3 MolecularWeight: 412.97708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O2S3/c1-9(2)7-23-16-19-20-17(25-16)24-8-11-5-15(21)22-14-4-10(3)13(18)6-12(11)14/h4-6,9H,7-8H2,1-3H3