2-[(diphenylamino)methyl]-4-(2-hydroxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(diphenylamino)methyl]-4-(2-hydroxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-hydroxyethyl)-2-[(N-phenylanilino)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-hydroxyethyl)-2-[(N-phenylanilino)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-hydroxyethyl)-2-[(N-phenylanilino)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-hydroxyethyl)-2-[(N-phenylanilino)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H21N5OS MolecularWeight: 403.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCO)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N(CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCO)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c28-16-15-25-21(18-11-13-23-14-12-18)24-27(22(25)29)17-26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,28H,15-17H2