2-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C25H20ClN5O2S MolecularWeight: 489.9766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)COC5=CC=CC=C5Cl

InChI

InChI=1S/C25H20ClN5O2S/c1-16-8-7-11-18-23(16)27-21(28-24(18)32)15-34-25-30-29-22(31(25)17-9-3-2-4-10-17)14-33-20-13-6-5-12-19(20)26/h2-13H,14-15H2,1H3,(H,27,28,32)