[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C19H15N5O3/c1-12(17-22-16-5-3-2-4-15(16)18(25)23-17)27-19(26)13-6-8-14(9-7-13)24-11-20-10-21-24/h2-12H,1H3,(H,22,23,25)/t12-/m0/s1