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

Systemtic Name: 2-[(1R)-1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C21H19N5OS/c1-13(18-22-17-10-6-5-9-16(17)20(27)23-18)28-21-25-24-19(14-11-12-14)26(21)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,22,23,27)/t13-/m1/s1