2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperazinyl)methyl]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperazino)methyl]-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole-3-thione Formula: C24H30N6O2S2 MolecularWeight: 498.664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C24H30N6O2S2/c1-26-14-16-27(17-15-26)19-29-24(33)30(21-9-3-2-4-10-21)23(25-29)20-8-7-11-22(18-20)34(31,32)28-12-5-6-13-28/h2-4,7-11,18H,5-6,12-17,19H2,1H3