N-(4-propan-2-ylphenyl)-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phthalazin-1-amine

Systemtic Name: N-(4-propan-2-ylphenyl)-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phthalazin-1-amine Openeye Name: N-(4-isopropylphenyl)-4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]phthalazin-1-amine CAS Name: N-(4-propan-2-ylphenyl)-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-1-phthalazinamine IUPAC Name: N-(4-propan-2-ylphenyl)-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phthalazin-1-amine Traditional Name: p-cumenyl-[4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]phthalazin-1-yl]amine Formula: C24H21N7S MolecularWeight: 439.53544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)SC4=NNC(=N4)C5=CC=NC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)SC4=NNC(=N4)C5=CC=NC=C5

InChI

InChI=1S/C24H21N7S/c1-15(2)16-7-9-18(10-8-16)26-22-19-5-3-4-6-20(19)23(30-29-22)32-24-27-21(28-31-24)17-11-13-25-14-12-17/h3-15H,1-2H3,(H,26,29)(H,27,28,31)