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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-[(4-methoxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[[5-(p-anisylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H18N4O2S3 MolecularWeight: 442.57752

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S3/c1-12-4-3-5-15-17(12)21-16(22-18(15)25)11-28-20-24-23-19(29-20)27-10-13-6-8-14(26-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,21,22,25)