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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylmethyl)phenyl]acetamide IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(pyrrolidinomethyl)phenyl]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-20(15-28-21-24-22-16-26(21)19-6-2-1-3-7-19)23-18-10-8-17(9-11-18)14-25-12-4-5-13-25/h1-3,6-11,16H,4-5,12-15H2,(H,23,27)