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

Systemtic Name: 1-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-phthalazine Openeye Name: 1-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-4-methyl-phthalazine CAS Name: 1-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-4-methylphthalazine IUPAC Name: 1-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-4-methylphthalazine Traditional Name: 1-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-4-methyl-phthalazine Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SC3=NN=C(N3CCOC)C4=CC=NC=C4

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SC3=NN=C(N3CCOC)C4=CC=NC=C4

InChI

InChI=1S/C19H18N6OS/c1-13-15-5-3-4-6-16(15)18(23-21-13)27-19-24-22-17(25(19)11-12-26-2)14-7-9-20-10-8-14/h3-10H,11-12H2,1-2H3