4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[2-(4-chlorobenzyl)oxybenzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5OS/c22-18-7-5-15(6-8-18)14-28-19-4-2-1-3-17(19)13-24-27-20(25-26-21(27)29)16-9-11-23-12-10-16/h1-12,24H,13-14H2,(H,26,29)