4-[4-(4-methylphenyl)-5-(4-methylphthalazin-1-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[4-(4-methylphenyl)-5-(4-methylphthalazin-1-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[5-(4-methylphthalazin-1-yl)sulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-(4-methylphenyl)-5-[(4-methyl-1-phthalazinyl)thio]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-(4-methylphenyl)-5-(4-methylphthalazin-1-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[5-[(4-methylphthalazin-1-yl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]morpholine Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC3=NN=C(C4=CC=CC=C43)C)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC3=NN=C(C4=CC=CC=C43)C)N5CCOCC5

InChI

InChI=1S/C22H22N6OS/c1-15-7-9-17(10-8-15)28-21(27-11-13-29-14-12-27)25-26-22(28)30-20-19-6-4-3-5-18(19)16(2)23-24-20/h3-10H,11-14H2,1-2H3