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

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-p-cumenyl-acetamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c1-4-12-26-21(17-6-5-7-19(13-17)27(29)30)24-25-22(26)31-14-20(28)23-18-10-8-16(9-11-18)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,23,28)