N-(4-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(3-isopropoxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: N-(4-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-nitrophenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(3-isopropoxyphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C22H25N5O4S/c1-4-12-26-21(16-6-5-7-19(13-16)31-15(2)3)24-25-22(26)32-14-20(28)23-17-8-10-18(11-9-17)27(29)30/h5-11,13,15H,4,12,14H2,1-3H3,(H,23,28)