1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C15H25N3OS MolecularWeight: 295.4435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=N1)CCC2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC(=N1)CCC2CCCC2

InChI

InChI=1S/C15H25N3OS/c1-15(2,3)12(19)10-20-14-16-13(17-18-14)9-8-11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H,16,17,18)