2-(1-adamantyl)-4-chloranyl-5-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[[5-(1-naphthyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[[5-(1-naphthalenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[(5-naphthalen-1-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[[5-(1-naphthyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pyridazin-3-one Formula: C32H28ClN5OS MolecularWeight: 566.11562

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)SC5=NN=C(N5C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)SC5=NN=C(N5C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)Cl

InChI

InChI=1S/C32H28ClN5OS/c33-28-27(19-34-38(30(28)39)32-16-20-13-21(17-32)15-22(14-20)18-32)40-31-36-35-29(37(31)24-9-2-1-3-10-24)26-12-6-8-23-7-4-5-11-25(23)26/h1-12,19-22H,13-18H2