2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]-sulfanyl-methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)-sulfanyl-methyl]-1H-quinazolin-4-one CAS Name: 2-[mercapto-[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)-mercapto-methyl]-1H-quinazolin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1C(C2=NC(=O)C3=CC=CC=C3N2)S)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1C(C2=NC(=O)C3=CC=CC=C3N2)S)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-2-12-26-17(13-14-8-4-3-5-9-14)24-25-20(26)18(28)19-22-16-11-7-6-10-15(16)21(27)23-19/h2-11,18,28H,1,12-13H2,(H,22,23,27)