5-butyl-2-[5-(2-butyl-1,3-dithian-2-yl)-2-chloranyl-phenyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-[5-(2-butyl-1,3-dithian-2-yl)-2-chloranyl-phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-[5-(2-butyl-1,3-dithian-2-yl)-2-chloro-phenyl]-1H-1,2,4-triazol-3-one CAS Name: 5-butyl-2-[5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-[5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]-1H-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-[5-(2-butyl-1,3-dithian-2-yl)-2-chloro-phenyl]-1H-1,2,4-triazol-3-one Formula: C20H28ClN3OS2 MolecularWeight: 426.03882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)C2=C(C=CC(=C2)C3(SCCCS3)CCCC)Cl

Isomeric SMILES

CCCCC1=NC(=O)N(N1)C2=C(C=CC(=C2)C3(SCCCS3)CCCC)Cl

InChI

InChI=1S/C20H28ClN3OS2/c1-3-5-8-18-22-19(25)24(23-18)17-14-15(9-10-16(17)21)20(11-6-4-2)26-12-7-13-27-20/h9-10,14H,3-8,11-13H2,1-2H3,(H,22,23,25)