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

Systemtic Name: 3-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinone IUPAC Name: 3-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(4-ethylphenyl)-2-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-one Formula: C32H27N5O2S MolecularWeight: 545.65408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=C(C=C6)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C32H27N5O2S/c1-3-22-13-17-25(18-14-22)36-29(33-28-12-8-7-11-27(28)31(36)38)21-40-32-35-34-30(23-15-19-26(39-2)20-16-23)37(32)24-9-5-4-6-10-24/h4-20H,3,21H2,1-2H3