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

Systemtic Name: 4-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[4-(4-fluorobenzyl)oxy-3-methoxy-benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)OCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN4O2S/c1-29-21-13-17(9-12-20(21)30-15-16-7-10-19(24)11-8-16)14-25-28-22(26-27-23(28)31)18-5-3-2-4-6-18/h2-13,25H,14-15H2,1H3,(H,27,31)