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

Systemtic Name: 6,7-dimethyl-4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(5-isobutylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(2-methylpropylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[5-(isobutylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C18H20N2O2S3 MolecularWeight: 392.5586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)SCC(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)SCC(C)C)C

InChI

InChI=1S/C18H20N2O2S3/c1-10(2)8-23-17-19-20-18(25-17)24-9-13-7-16(21)22-15-6-12(4)11(3)5-14(13)15/h5-7,10H,8-9H2,1-4H3