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

Systemtic Name: 3-(3-chlorophenyl)-4-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-chlorophenyl)-4-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-chlorophenyl)-4-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-chlorophenyl)-4-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-chlorophenyl)-4-[(E)-[4-(4-fluorobenzyl)oxy-3-methoxy-benzylidene]amino]-1H-1,2,4-triazole-5-thione Formula: C23H18ClFN4O2S MolecularWeight: 468.931023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3=CC(=CC=C3)Cl)OCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)Cl)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H18ClFN4O2S/c1-30-21-11-16(7-10-20(21)31-14-15-5-8-19(25)9-6-15)13-26-29-22(27-28-23(29)32)17-3-2-4-18(24)12-17/h2-13H,14H2,1H3,(H,28,32)/b26-13+