8-methyl-2-[[5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[[5-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[[5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[5-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C22H18N6O2S3 MolecularWeight: 494.61232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(S3)SCC4=NC(=O)C5=C(N4)C(=CC=C5)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(S3)SCC4=NC(=O)C5=C(N4)C(=CC=C5)C

InChI

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