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

Systemtic Name: 2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C19H17N5OS/c1-12(16-20-15-11-7-6-10-14(15)18(25)21-16)26-19-23-22-17(24(19)2)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,20,21,25)