[5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-cyclobutyl-methanone

Systemtic Name: [5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-cyclobutyl-methanone Openeye Name: [5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-cyclobutyl-methanone CAS Name: [5-amino-3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-1-yl]-cyclobutylmethanone IUPAC Name: [5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-cyclobutylmethanone Traditional Name: [5-amino-3-[(4-chlorobenzyl)thio]-1,2,4-triazol-1-yl]-cyclobutyl-methanone Formula: C14H15ClN4OS MolecularWeight: 322.8131

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2C(=NC(=N2)SCC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CC(C1)C(=O)N2C(=NC(=N2)SCC3=CC=C(C=C3)Cl)N

InChI

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