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

Systemtic Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-hydroxy-coumarin Formula: C14H13N3O3S2 MolecularWeight: 335.40132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C14H13N3O3S2/c1-2-15-13-16-17-14(22-13)21-7-8-5-12(19)20-11-6-9(18)3-4-10(8)11/h3-6,18H,2,7H2,1H3,(H,15,16)