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

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C20H22N5OS+ MolecularWeight: 380.48658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](NC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5OS/c26-19(23-16-8-10-17(11-9-16)24-12-4-5-13-24)14-27-20-21-15-22-25(20)18-6-2-1-3-7-18/h1-3,6-11,15H,4-5,12-14H2,(H,23,26)/p+1