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

Systemtic Name: 1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzo[f]chromen-3-one Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H19N3O2S2/c1-12(2)10-21-19-22-23-20(27-19)26-11-14-9-17(24)25-16-8-7-13-5-3-4-6-15(13)18(14)16/h3-9,12H,10-11H2,1-2H3,(H,21,22)