2-[1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

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