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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H28N6OS/c34-25(29-23-14-6-7-15-24(23)32-17-8-1-2-9-18-32)20-35-27-31-30-26(21-11-10-16-28-19-21)33(27)22-12-4-3-5-13-22/h3-7,10-16,19H,1-2,8-9,17-18,20H2,(H,29,34)