3-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide CAS Name: 3-[[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]propionamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2S/c20-16(25)10-11-24(12-14-6-2-1-3-7-14)17(26)13-27-19-21-18(22-23-19)15-8-4-5-9-15/h1-3,6-7,15H,4-5,8-13H2,(H2,20,25)(H,21,22,23)