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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-methoxyphenyl)piperazino]methyl]-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole-3-thione Formula: C30H34N6O3S2 MolecularWeight: 590.75936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C6=CC=CC=C6

InChI

InChI=1S/C30H34N6O3S2/c1-39-28-15-6-5-14-27(28)33-20-18-32(19-21-33)23-35-30(40)36(25-11-3-2-4-12-25)29(31-35)24-10-9-13-26(22-24)41(37,38)34-16-7-8-17-34/h2-6,9-15,22H,7-8,16-21,23H2,1H3