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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)SCC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)SCC(C)C

InChI

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