2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C25H20ClN5OS MolecularWeight: 473.9772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C25H20ClN5OS/c1-15-3-7-17(8-4-15)23-29-30-25(31(23)19-10-5-16(2)6-11-19)33-14-22-27-21-13-18(26)9-12-20(21)24(32)28-22/h3-13H,14H2,1-2H3,(H,27,28,32)