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

Systemtic Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]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)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C16H12N6OS/c23-15-11-3-1-2-4-12(11)18-13(19-15)9-24-16-20-14(21-22-16)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,19,23)(H,20,21,22)