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

Systemtic Name: 1-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C14H23N3OS MolecularWeight: 281.41692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=N1)CC2CCCC2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC(=N1)CC2CCCC2

InChI

InChI=1S/C14H23N3OS/c1-14(2,3)11(18)9-19-13-15-12(16-17-13)8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H,15,16,17)