4-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline

Systemtic Name: 4-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline Openeye Name: 4-phenyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]quinazoline CAS Name: 4-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]quinazoline IUPAC Name: 4-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]quinazoline Traditional Name: 4-phenyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]quinazoline Formula: C21H14N6S MolecularWeight: 382.44106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SC4=NNC(=N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SC4=NNC(=N4)C5=CC=NC=C5

InChI

InChI=1S/C21H14N6S/c1-2-6-14(7-3-1)18-16-8-4-5-9-17(16)23-20(24-18)28-21-25-19(26-27-21)15-10-12-22-13-11-15/h1-13H,(H,25,26,27)