4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C24H21N5OS/c30-23(26-20-6-2-1-3-7-20)18-10-8-17(9-11-18)16-31-24-28-27-22(29(24)21-12-13-21)19-5-4-14-25-15-19/h1-11,14-15,21H,12-13,16H2,(H,26,30)