N-[4-(azepan-1-yl)phenyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C22H26N6OS/c1-27-21(17-7-6-12-23-15-17)25-26-22(27)30-16-20(29)24-18-8-10-19(11-9-18)28-13-4-2-3-5-14-28/h6-12,15H,2-5,13-14,16H2,1H3,(H,24,29)