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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(azepan-1-ylsulfonyl)phenyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C16H22N6O3S2 MolecularWeight: 410.51428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C16H22N6O3S2/c17-15-19-16(21-20-15)26-11-14(23)18-12-5-7-13(8-6-12)27(24,25)22-9-3-1-2-4-10-22/h5-8H,1-4,9-11H2,(H,18,23)(H3,17,19,20,21)