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

Systemtic Name: 2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3-pyridyl)-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=NN=CN3C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=CN3C4=CN=CC=C4

InChI

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