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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)quinazolin-4-one Openeye Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 2-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-(4-ethylphenyl)-4-quinazolinone IUPAC Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-(4-ethylphenyl)quinazolin-4-one Formula: C31H24BrN5OS MolecularWeight: 594.52416

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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(=CC=C6)Br

Isomeric SMILES

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

InChI

InChI=1S/C31H24BrN5OS/c1-2-21-15-17-25(18-16-21)36-28(33-27-14-7-6-13-26(27)30(36)38)20-39-31-35-34-29(22-9-8-10-23(32)19-22)37(31)24-11-4-3-5-12-24/h3-19H,2,20H2,1H3