N-(2-cyano-4-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H17N5O3S/c1-13-18(9-14-5-3-2-4-6-14)24-20(22-13)29-12-19(26)23-17-8-7-16(25(27)28)10-15(17)11-21/h2-8,10H,9,12H2,1H3,(H,22,24)(H,23,26)