3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C14H15ClN4OS MolecularWeight: 322.8131

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H15ClN4OS/c15-10-6-4-9(5-7-10)12-17-14(19-18-12)21-11-3-1-2-8-16-13(11)20/h4-7,11H,1-3,8H2,(H,16,20)(H,17,18,19)