4-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C22H21N3O2S2/c1-4-15-5-7-17(8-6-15)23-21-24-25-22(29-21)28-12-16-11-20(26)27-19-10-14(3)13(2)9-18(16)19/h5-11H,4,12H2,1-3H3,(H,23,24)