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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylmethyl)phenyl]acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-[4-(pyrrolidinomethyl)phenyl]acetamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C19H27N5O2S/c1-2-3-12-24-18(26)21-22-19(24)27-14-17(25)20-16-8-6-15(7-9-16)13-23-10-4-5-11-23/h6-9H,2-5,10-14H2,1H3,(H,20,25)(H,21,26)