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

Systemtic Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-20(22-18-8-2-1-3-9-18)17-12-10-15(11-13-17)14-27-21-23-19(24-25-21)16-6-4-5-7-16/h1-3,8-13,16H,4-7,14H2,(H,22,26)(H,23,24,25)