N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N5OS/c1-2-6-16-20-18(22-21-16)25-13-17(24)19-15-9-10-23(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,19,24)(H,20,21,22)