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

Systemtic Name: 2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-sulfanyl-methyl]-1H-quinazolin-4-one Openeye Name: 2-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]-sulfanyl-methyl]-1H-quinazolin-4-one CAS Name: 2-[mercapto-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[mercapto-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-quinazolin-4-one Formula: C16H12N6OS MolecularWeight: 336.37108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(C3=NC(=NN3)C4=CC=NC=C4)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(C3=NC(=NN3)C4=CC=NC=C4)S

InChI

InChI=1S/C16H12N6OS/c23-16-10-3-1-2-4-11(10)18-14(20-16)12(24)15-19-13(21-22-15)9-5-7-17-8-6-9/h1-8,12,24H,(H,18,20,23)(H,19,21,22)