2-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H17N5O2S2 MolecularWeight: 459.54338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H17N5O2S2/c29-21-18-8-4-5-9-19(18)25-20(26-21)14-31-23-28-27-22(32-23)24-15-10-12-17(13-11-15)30-16-6-2-1-3-7-16/h1-13H,14H2,(H,24,27)(H,25,26,29)