N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NN3

InChI

InChI=1S/C16H21N5O3S2/c22-15(11-25-16-17-12-18-20-16)19-13-5-7-14(8-6-13)26(23,24)21-9-3-1-2-4-10-21/h5-8,12H,1-4,9-11H2,(H,19,22)(H,17,18,20)