4-phenethyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-phenethyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-phenethyl-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-phenethyl-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-phenethyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-phenethyl-2-[[2-(3-pyridyl)pyrrolidino]methyl]-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C25H27N5S2 MolecularWeight: 461.64538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC(N(C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)CCC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H27N5S2/c31-25-29(15-12-20-7-2-1-3-8-20)24(17-22-10-6-16-32-22)27-30(25)19-28-14-5-11-23(28)21-9-4-13-26-18-21/h1-4,6-10,13,16,18,23H,5,11-12,14-15,17,19H2