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

Systemtic Name: 8-methyl-2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[(4-isopropylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[[5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(4-isopropylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C22H22N4OS3 MolecularWeight: 454.63128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C22H22N4OS3/c1-13(2)16-9-7-15(8-10-16)11-28-21-25-26-22(30-21)29-12-18-23-19-14(3)5-4-6-17(19)20(27)24-18/h4-10,13H,11-12H2,1-3H3,(H,23,24,27)