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

Systemtic Name: N-(4-chlorophenyl)-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phthalazin-1-amine Openeye Name: N-(4-chlorophenyl)-4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]phthalazin-1-amine CAS Name: N-(4-chlorophenyl)-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-1-phthalazinamine IUPAC Name: N-(4-chlorophenyl)-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phthalazin-1-amine Traditional Name: (4-chlorophenyl)-[4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]phthalazin-1-yl]amine Formula: C21H14ClN7S MolecularWeight: 431.90076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SC3=NNC(=N3)C4=CC=NC=C4)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SC3=NNC(=N3)C4=CC=NC=C4)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H14ClN7S/c22-14-5-7-15(8-6-14)24-19-16-3-1-2-4-17(16)20(28-27-19)30-21-25-18(26-29-21)13-9-11-23-12-10-13/h1-12H,(H,24,27)(H,25,26,29)