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

Systemtic Name: 2-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C23H16N4O3S2 MolecularWeight: 460.52814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H16N4O3S2/c28-20-18-8-4-5-9-19(18)21(29)27(20)14-31-23-26-25-22(32-23)24-15-10-12-17(13-11-15)30-16-6-2-1-3-7-16/h1-13H,14H2,(H,24,25)