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

Systemtic Name: 2-[1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C)C4=CN=CC=C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C)C4=CN=CC=C4

InChI

InChI=1S/C18H16N6OS/c1-11(15-20-14-8-4-3-7-13(14)17(25)21-15)26-18-23-22-16(24(18)2)12-6-5-9-19-10-12/h3-11H,1-2H3,(H,20,21,25)