2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclopentyl(cyclopropyl)amino]methyl]-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C22H31N5S MolecularWeight: 397.58004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CN2C(=S)N(C(=N2)CN3CCCC3)C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(C1)N(CN2C(=S)N(C(=N2)CN3CCCC3)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H31N5S/c28-22-26(17-25(19-12-13-19)18-8-4-5-9-18)23-21(16-24-14-6-7-15-24)27(22)20-10-2-1-3-11-20/h1-3,10-11,18-19H,4-9,12-17H2