1-[3-(butoxymethyl)-4-chloranyl-phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-[3-(butoxymethyl)-4-chloranyl-phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Openeye Name: 1-[3-(butoxymethyl)-4-chloro-phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide CAS Name: 1-[3-(butoxymethyl)-4-chlorophenyl]-5-phenyl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-[3-(butoxymethyl)-4-chlorophenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Traditional Name: 1-[3-(butoxymethyl)-4-chloro-phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=C(C=CC(=C1)N2C(=NC(=N2)C(=O)N)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCOCC1=C(C=CC(=C1)N2C(=NC(=N2)C(=O)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O2/c1-2-3-11-27-13-15-12-16(9-10-17(15)21)25-20(14-7-5-4-6-8-14)23-19(24-25)18(22)26/h4-10,12H,2-3,11,13H2,1H3,(H2,22,26)