N-(2-methoxy-5-nitro-phenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[1-(2-methylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[1-(o-tolyl)imidazol-2-yl]thio]propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N4O4S/c1-13-6-4-5-7-17(13)23-11-10-21-20(23)29-14(2)19(25)22-16-12-15(24(26)27)8-9-18(16)28-3/h4-12,14H,1-3H3,(H,22,25)