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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

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