2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C25H25N5OS2 MolecularWeight: 475.6289

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H25N5OS2/c31-23(26-20-10-12-21(13-11-20)29-14-4-5-15-29)18-33-25-28-27-24(22-9-6-16-32-22)30(25)17-19-7-2-1-3-8-19/h1-3,6-13,16H,4-5,14-15,17-18H2,(H,26,31)