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

Systemtic Name: 1-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzo[f]chromen-3-one Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NN=C(S2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(OC1)CNC2=NN=C(S2)SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C21H19N3O3S2/c25-18-10-14(19-16-6-2-1-4-13(16)7-8-17(19)27-18)12-28-21-24-23-20(29-21)22-11-15-5-3-9-26-15/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,22,23)