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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C20H18N6OS/c1-3-12-26-18(14-8-10-21-11-9-14)24-25-20(26)28-13(2)17-22-16-7-5-4-6-15(16)19(27)23-17/h3-11,13H,1,12H2,2H3,(H,22,23,27)