5-(4-ethoxyphenyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethoxyphenyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethoxyphenyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-ethoxyphenyl)-4-phenyl-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethoxyphenyl)-4-phenyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-5-p-phenetyl-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H24N4OS/c1-2-26-19-12-10-17(11-13-19)20-22-24(16-23-14-6-7-15-23)21(27)25(20)18-8-4-3-5-9-18/h3-5,8-13H,2,6-7,14-16H2,1H3