2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC(=O)NCC#C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC(=O)NCC#C)C

InChI

InChI=1S/C15H16N4OS/c1-4-7-16-14(20)9-21-15-18-17-10-19(15)13-6-5-11(2)8-12(13)3/h1,5-6,8,10H,7,9H2,2-3H3,(H,16,20)