4-(phenylmethyl)-2-[[4-phenyl-1-(piperidin-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]methyl]phthalazin-1-one

Systemtic Name: 4-(phenylmethyl)-2-[[4-phenyl-1-(piperidin-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 4-benzyl-2-[[4-phenyl-1-(1-piperidylmethyl)-5-thioxo-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 4-(phenylmethyl)-2-[[4-phenyl-1-(1-piperidinylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 4-benzyl-2-[[4-phenyl-1-(piperidin-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 4-benzyl-2-[[4-phenyl-1-(piperidinomethyl)-5-thioxo-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C30H30N6OS MolecularWeight: 522.6638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C(=S)N(C(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)CN2C(=S)N(C(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H30N6OS/c37-29-26-17-9-8-16-25(26)27(20-23-12-4-1-5-13-23)31-34(29)21-28-32-35(22-33-18-10-3-11-19-33)30(38)36(28)24-14-6-2-7-15-24/h1-2,4-9,12-17H,3,10-11,18-22H2