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

Systemtic Name: 1-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[(5-isobutylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[5-(2-methylpropylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(isobutylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzo[f]chromen-3-one Formula: C20H18N2O2S3 MolecularWeight: 414.56412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H18N2O2S3/c1-12(2)10-25-19-21-22-20(27-19)26-11-14-9-17(23)24-16-8-7-13-5-3-4-6-15(13)18(14)16/h3-9,12H,10-11H2,1-2H3