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

Systemtic Name: 3-phenethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-phenethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-phenethyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-phenethyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-phenethyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-one Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5OS/c31-24-20-13-7-8-14-21(20)26-22(30(24)16-15-18-9-3-1-4-10-18)17-32-25-27-23(28-29-25)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,27,28,29)