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

Systemtic Name: 4-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-chloro-5-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)Cl)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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