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

Systemtic Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C(C)(C)C

InChI

InChI=1S/C16H21N3OS/c1-5-11-6-8-12(9-7-11)14-17-15(19-18-14)21-10-13(20)16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,18,19)