2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide

Systemtic Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylcarbamoyl)propionamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C18H23N5O2S/c1-12(16(24)21-17(25)19-14-9-3-2-4-10-14)26-18-20-15(22-23-18)11-13-7-5-6-8-13/h2-4,9-10,12-13H,5-8,11H2,1H3,(H,20,22,23)(H2,19,21,24,25)