2-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H16N4O2S2/c1-2-12-7-9-13(10-8-12)20-18-21-22-19(27-18)26-11-23-16(24)14-5-3-4-6-15(14)17(23)25/h3-10H,2,11H2,1H3,(H,20,21)