5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5OS/c1-22-10-8-9-15-25(22)33-20-26-28-31(27(34)32(26)24-13-6-3-7-14-24)21-29-16-18-30(19-17-29)23-11-4-2-5-12-23/h2-15H,16-21H2,1H3