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

Systemtic Name: 6-bromanyl-2-methyl-3-[5-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-1,3,4-thiadiazol-2-yl]quinazolin-4-one Openeye Name: 6-bromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-quinazolin-4-one CAS Name: 6-bromo-3-[5-[[2-hydroxy-3-(4-methylanilino)propyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-4-quinazolinone IUPAC Name: 6-bromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one Traditional Name: 6-bromo-3-[5-[[2-hydroxy-3-(p-toluidino)propyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-quinazolin-4-one Formula: C21H20BrN5O2S2 MolecularWeight: 518.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)Br)C)O

Isomeric SMILES

CC1=CC=C(C=C1)NCC(CSC2=NN=C(S2)N3C(=NC4=C(C3=O)C=C(C=C4)Br)C)O

InChI

InChI=1S/C21H20BrN5O2S2/c1-12-3-6-15(7-4-12)23-10-16(28)11-30-21-26-25-20(31-21)27-13(2)24-18-8-5-14(22)9-17(18)19(27)29/h3-9,16,23,28H,10-11H2,1-2H3