4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-hydroxy-coumarin Formula: C17H13N3O4S2 MolecularWeight: 387.43282

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=COC(=C1)CNC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C17H13N3O4S2/c21-11-3-4-13-10(6-15(22)24-14(13)7-11)9-25-17-20-19-16(26-17)18-8-12-2-1-5-23-12/h1-7,21H,8-9H2,(H,18,19)