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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H21N5O2S/c1-16-7-6-10-20-22(16)26-21(27-24(20)31)15-33-25-29-28-23(17-11-13-19(32-2)14-12-17)30(25)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,26,27,31)