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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O4S/c1-3-4-13-25-20(15-9-11-16(30-2)12-10-15)23-24-21(25)31-14-19(27)22-17-7-5-6-8-18(17)26(28)29/h5-12H,3-4,13-14H2,1-2H3,(H,22,27)