4-(4-methylphenyl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-[4-(3-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-4-(p-tolylthio)butyramide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S2/c1-14-7-9-17(10-8-14)27-11-3-6-19(24)22-20-21-18(13-28-20)15-4-2-5-16(12-15)23(25)26/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,21,22,24)