N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

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