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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]acetamide Formula: C17H24N6O4S2 MolecularWeight: 440.54026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C17H24N6O4S2/c1-27-14-7-6-12(29(25,26)23-8-4-2-3-5-9-23)10-13(14)19-15(24)11-28-17-20-16(18)21-22-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,24)(H3,18,20,21,22)