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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-21(16-29-22-25-23-17-27(22)20-8-4-3-5-9-20)24-18-10-12-19(13-11-18)26-14-6-1-2-7-15-26/h3-5,8-13,17H,1-2,6-7,14-16H2,(H,24,28)