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

Systemtic Name: N-(2-methylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-3-11-24-19(15-8-6-9-16(12-15)25(27)28)22-23-20(24)29-13-18(26)21-17-10-5-4-7-14(17)2/h4-10,12H,3,11,13H2,1-2H3,(H,21,26)