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

Systemtic Name: 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[4-methyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3CC3C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3CC3C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3S/c1-24-19(15-11-14(15)13-7-3-2-4-8-13)22-23-20(24)29-12-18(26)21-16-9-5-6-10-17(16)25(27)28/h2-10,14-15H,11-12H2,1H3,(H,21,26)