N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(3-methyl-4-pyrrolidino-phenyl)acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C20H29N5OS/c1-3-4-5-12-25-15-21-23-20(25)27-14-19(26)22-17-8-9-18(16(2)13-17)24-10-6-7-11-24/h8-9,13,15H,3-7,10-12,14H2,1-2H3,(H,22,26)