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

Systemtic Name: 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylmethyl)phenyl]acetamide IUPAC Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(pyrrolidinomethyl)phenyl]acetamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C18H25N5O2S/c1-2-9-23-17(25)20-21-18(23)26-13-16(24)19-15-7-5-14(6-8-15)12-22-10-3-4-11-22/h5-8H,2-4,9-13H2,1H3,(H,19,24)(H,20,25)