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

Systemtic Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrrolidinophenyl)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C21H23N5OS/c1-16-8-10-17(11-9-16)26-15-22-24-21(26)28-14-20(27)23-18-6-2-3-7-19(18)25-12-4-5-13-25/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,23,27)