3-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H22N4O2S2/c1-2-20-15(17-18-16(20)23)13-7-9-14(10-8-13)24(21,22)19-11-5-3-4-6-12-19/h7-10H,2-6,11-12H2,1H3,(H,18,23)