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

Systemtic Name: 3-[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]-6-methoxy-chromen-2-one Openeye Name: 3-[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-chromen-2-one CAS Name: 3-[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 3-[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]-6-methoxychromen-2-one Traditional Name: 3-[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]-6-methoxy-coumarin Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)OC)OC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)OC)OC3=O

InChI

InChI=1S/C20H17N3O3S/c1-3-12-4-6-14(7-5-12)21-20-23-22-18(27-20)16-11-13-10-15(25-2)8-9-17(13)26-19(16)24/h4-11H,3H2,1-2H3,(H,21,23)