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

Systemtic Name: 3-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]quinazolin-4-one Openeye Name: 3-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-4-quinazolinone IUPAC Name: 3-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]quinazolin-4-one Traditional Name: 3-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]quinazolin-4-one Formula: C31H25N5O2S MolecularWeight: 531.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=NN=C(N4C5=CC=CC=C5)C6=CC=C(C=C6)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=NN=C(N4C5=CC=CC=C5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C31H25N5O2S/c1-3-21-13-17-24(18-14-21)36-29(37)26-11-7-8-12-27(26)32-30(36)39-31-34-33-28(22-15-19-25(38-2)20-16-22)35(31)23-9-5-4-6-10-23/h4-20H,3H2,1-2H3