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

Systemtic Name: 4-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-4-(4-chlorobenzyl)oxy-5-ethoxy-benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C23H21BrClN5O2S MolecularWeight: 546.86714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)Br)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)Br)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21BrClN5O2S/c1-2-31-20-12-16(11-19(24)21(20)32-14-15-3-5-18(25)6-4-15)13-27-30-22(28-29-23(30)33)17-7-9-26-10-8-17/h3-12,27H,2,13-14H2,1H3,(H,29,33)