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

Systemtic Name: 4-[(3-chloranyl-4,5-diethoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-chloro-4,5-diethoxy-phenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-chloro-4,5-diethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-chloro-4,5-diethoxyphenyl)methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-chloro-4,5-diethoxy-benzyl)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)Cl)OCC

InChI

InChI=1S/C19H21ClN4O2S/c1-3-25-16-11-13(10-15(20)17(16)26-4-2)12-21-24-18(22-23-19(24)27)14-8-6-5-7-9-14/h5-11,21H,3-4,12H2,1-2H3,(H,23,27)