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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H23N5O2S/c1-33-20-13-11-19(12-14-20)24-29-30-26(31(24)16-15-18-7-3-2-4-8-18)34-17-23-27-22-10-6-5-9-21(22)25(32)28-23/h2-14H,15-17H2,1H3,(H,27,28,32)