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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]ethanamide Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-[3-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C17H24N6O3S2 MolecularWeight: 424.54086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H24N6O3S2/c1-13-20-21-17(23(13)18)27-12-16(24)19-14-7-6-8-15(11-14)28(25,26)22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10,12,18H2,1H3,(H,19,24)