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

Systemtic Name: 7-oxidanyl-4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H17N3O3S2/c24-15-6-7-16-14(10-18(25)26-17(16)11-15)12-27-20-23-22-19(28-20)21-9-8-13-4-2-1-3-5-13/h1-7,10-11,24H,8-9,12H2,(H,21,22)