2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylmethyl)phenyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-[4-(pyrrolidinomethyl)phenyl]acetamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)CN3CCCC3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)CN3CCCC3)C4CC4

InChI

InChI=1S/C20H27N5OS/c1-2-25-19(16-7-8-16)22-23-20(25)27-14-18(26)21-17-9-5-15(6-10-17)13-24-11-3-4-12-24/h5-6,9-10,16H,2-4,7-8,11-14H2,1H3,(H,21,26)