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

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C24H21N5OS2 MolecularWeight: 459.58644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)CC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)CC5=CC=CS5

InChI

InChI=1S/C24H21N5OS2/c30-23-19-10-4-5-11-20(19)25-21(26-23)16-32-24-28-27-22(15-18-9-6-14-31-18)29(24)13-12-17-7-2-1-3-8-17/h1-11,14H,12-13,15-16H2,(H,25,26,30)