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

Systemtic Name: 2-methyl-3-[5-[3-[(2-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-1,3,4-thiadiazol-2-yl]quinazolin-4-one Openeye Name: 3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methyl-quinazolin-4-one CAS Name: 3-[5-[[2-hydroxy-3-(2-methylanilino)propyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-4-quinazolinone IUPAC Name: 3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one Traditional Name: 3-[5-[[2-hydroxy-3-(o-toluidino)propyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-quinazolin-4-one Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=CC=CC=C4C3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=CC=CC=C4C3=O)C)O

InChI

InChI=1S/C21H21N5O2S2/c1-13-7-3-5-9-17(13)22-11-15(27)12-29-21-25-24-20(30-21)26-14(2)23-18-10-6-4-8-16(18)19(26)28/h3-10,15,22,27H,11-12H2,1-2H3