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

Systemtic Name: 5-(2-methylfuran-3-yl)-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-methyl-3-furyl)-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methyl-3-furanyl)-4-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methylfuran-3-yl)-4-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-methyl-3-furyl)-4-phenyl-2-[(4-phenylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N5OS/c1-19-22(12-17-30-19)23-25-28(24(31)29(23)21-10-6-3-7-11-21)18-26-13-15-27(16-14-26)20-8-4-2-5-9-20/h2-12,17H,13-16,18H2,1H3