1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[5-[(4-chlorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-[(4-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[5-[(4-chlorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]ethanone Formula: C16H14ClN5O MolecularWeight: 327.76826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN5O/c1-11(23)22-16(19-9-12-4-6-14(17)7-5-12)20-15(21-22)13-3-2-8-18-10-13/h2-8,10H,9H2,1H3,(H,19,20,21)