2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H22N6O3S/c1-4-25-19(14-9-11-15(12-10-14)24(2)3)22-23-20(25)30-13-18(27)21-16-7-5-6-8-17(16)26(28)29/h5-12H,4,13H2,1-3H3,(H,21,27)