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

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C22H25N5OS/c1-17-24-25-22(27(17)15-18-7-3-2-4-8-18)29-16-21(28)23-19-9-11-20(12-10-19)26-13-5-6-14-26/h2-4,7-12H,5-6,13-16H2,1H3,(H,23,28)