3-methyl-2-[[5-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-methyl-2-[[5-[(3-methyl-4-oxidanylidene-quinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-one Openeye Name: 3-methyl-2-[[5-[(3-methyl-4-oxo-quinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-one CAS Name: 3-methyl-2-[[[5-[(3-methyl-4-oxo-2-quinazolinyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-quinazolinone IUPAC Name: 3-methyl-2-[[5-[(3-methyl-4-oxoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-one Traditional Name: 2-[[[5-[(4-keto-3-methyl-quinazolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-3-methyl-quinazolin-4-one Formula: C22H18N6O2S3 MolecularWeight: 494.61232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CSC3=NN=C(S3)SCC4=NC5=CC=CC=C5C(=O)N4C

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CSC3=NN=C(S3)SCC4=NC5=CC=CC=C5C(=O)N4C

InChI

InChI=1S/C22H18N6O2S3/c1-27-17(23-15-9-5-3-7-13(15)19(27)29)11-31-21-25-26-22(33-21)32-12-18-24-16-10-6-4-8-14(16)20(30)28(18)2/h3-10H,11-12H2,1-2H3