2-[[bis(phenylmethyl)amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[bis(phenylmethyl)amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(dibenzylamino)methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[bis(phenylmethyl)amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(dibenzylamino)methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(dibenzylamino)methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN(C1=S)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COCCN1C(=NN(C1=S)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H27N5OS/c1-31-17-16-29-24(23-12-14-26-15-13-23)27-30(25(29)32)20-28(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-15H,16-20H2,1H3