5-(4-ethylphenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethylphenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1H-1,2,4-triazole-3-thione Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCCC3C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCCC3C4=CN=CC=C4

InChI

InChI=1S/C20H23N5S/c1-2-15-7-9-16(10-8-15)19-22-20(26)25(23-19)14-24-12-4-6-18(24)17-5-3-11-21-13-17/h3,5,7-11,13,18H,2,4,6,12,14H2,1H3,(H,22,23,26)