6-bromanyl-2-methyl-3-[5-(2-oxidanyl-3-phenylazanyl-propyl)sulfanyl-1,3,4-thiadiazol-2-yl]quinazolin-4-one

Systemtic Name: 6-bromanyl-2-methyl-3-[5-(2-oxidanyl-3-phenylazanyl-propyl)sulfanyl-1,3,4-thiadiazol-2-yl]quinazolin-4-one Openeye Name: 3-[5-(3-anilino-2-hydroxy-propyl)sulfanyl-1,3,4-thiadiazol-2-yl]-6-bromo-2-methyl-quinazolin-4-one CAS Name: 3-[5-[(3-anilino-2-hydroxypropyl)thio]-1,3,4-thiadiazol-2-yl]-6-bromo-2-methyl-4-quinazolinone IUPAC Name: 3-[5-(3-anilino-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]-6-bromo-2-methylquinazolin-4-one Traditional Name: 3-[5-[(3-anilino-2-hydroxy-propyl)thio]-1,3,4-thiadiazol-2-yl]-6-bromo-2-methyl-quinazolin-4-one Formula: C20H18BrN5O2S2 MolecularWeight: 504.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=NN=C(S3)SCC(CNC4=CC=CC=C4)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=NN=C(S3)SCC(CNC4=CC=CC=C4)O

InChI

InChI=1S/C20H18BrN5O2S2/c1-12-23-17-8-7-13(21)9-16(17)18(28)26(12)19-24-25-20(30-19)29-11-15(27)10-22-14-5-3-2-4-6-14/h2-9,15,22,27H,10-11H2,1H3