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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C16H13N7OS MolecularWeight: 351.38572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C16H13N7OS/c17-23-14(10-4-3-7-18-8-10)21-22-16(23)25-9-13-19-12-6-2-1-5-11(12)15(24)20-13/h1-8H,9,17H2,(H,19,20,24)