2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[5-(4-ethyl-5-methyl-3-thienyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[5-(4-ethyl-5-methyl-3-thiophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[5-(4-ethyl-5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[5-(4-ethyl-5-methyl-3-thienyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C2=NN=C(N2C(C)C)SCC(=O)NC3=CC=CC=C3C)C

Isomeric SMILES

CCC1=C(SC=C1C2=NN=C(N2C(C)C)SCC(=O)NC3=CC=CC=C3C)C

InChI

InChI=1S/C21H26N4OS2/c1-6-16-15(5)27-11-17(16)20-23-24-21(25(20)13(2)3)28-12-19(26)22-18-10-8-7-9-14(18)4/h7-11,13H,6,12H2,1-5H3,(H,22,26)