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

Systemtic Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[4-(3-chlorobenzyl)oxy-3-methoxy-benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O2S/c1-29-21-13-16(10-11-20(21)30-15-17-6-5-9-19(24)12-17)14-25-28-22(26-27-23(28)31)18-7-3-2-4-8-18/h2-13,25H,14-15H2,1H3,(H,27,31)