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

Systemtic Name: 2-[(1S)-1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C20H18N6OS MolecularWeight: 390.46152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C20H18N6OS/c1-12(17-22-16-5-3-2-4-15(16)19(27)23-17)28-20-25-24-18(26(20)14-6-7-14)13-8-10-21-11-9-13/h2-5,8-12,14H,6-7H2,1H3,(H,22,23,27)/t12-/m0/s1