2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H22N4O3S/c1-13-8-9-17(12-14(13)2)24-11-10-22-21(24)29-16(4)20(26)23-18-6-5-7-19(15(18)3)25(27)28/h5-12,16H,1-4H3,(H,23,26)