1-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-phthalazine

Systemtic Name: 1-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-phthalazine Openeye Name: 1-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-phthalazine CAS Name: 1-[[4-(3,4-dichlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-4-methylphthalazine IUPAC Name: 1-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-4-methylphthalazine Traditional Name: 1-[[4-(3,4-dichlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-4-methyl-phthalazine Formula: C22H14Cl2N6S MolecularWeight: 465.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CN=CC=C5

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CN=CC=C5

InChI

InChI=1S/C22H14Cl2N6S/c1-13-16-6-2-3-7-17(16)21(28-26-13)31-22-29-27-20(14-5-4-10-25-12-14)30(22)15-8-9-18(23)19(24)11-15/h2-12H,1H3