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

Systemtic Name: N-phenyl-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: N-phenyl-4-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-phenyl-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS/c1-13(2)17-21-19(23-22-17)25-12-14-8-10-15(11-9-14)18(24)20-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,20,24)(H,21,22,23)