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

Systemtic Name: 2-[1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N5OS/c1-11(15-19-14-10-6-5-9-13(14)17(24)20-15)25-18-21-16(22-23-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20,24)(H,21,22,23)