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

Systemtic Name: 2-[(1R)-1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C18H19N5OS/c1-3-10-23-16(12-8-9-12)21-22-18(23)25-11(2)15-19-14-7-5-4-6-13(14)17(24)20-15/h3-7,11-12H,1,8-10H2,2H3,(H,19,20,24)/t11-/m1/s1