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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-4-24-18(15-9-11-16(12-10-15)25(27)28)22-23-20(24)29-14(3)19(26)21-17-8-6-5-7-13(17)2/h5-12,14H,4H2,1-3H3,(H,21,26)