2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C20H19N5OS MolecularWeight: 377.46276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C20H19N5OS/c1-3-13-7-9-14(10-8-13)18-23-20(25-24-18)27-11-16-21-17-12(2)5-4-6-15(17)19(26)22-16/h4-10H,3,11H2,1-2H3,(H,21,22,26)(H,23,24,25)