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

Systemtic Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methoxy-coumarin Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC4=CC=CO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC4=CC=CO4

InChI

InChI=1S/C18H15N3O4S2/c1-23-12-4-5-14-11(7-16(22)25-15(14)8-12)10-26-18-21-20-17(27-18)19-9-13-3-2-6-24-13/h2-8H,9-10H2,1H3,(H,19,20)