5-(4-methylphenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-yl-2H-1,3-thiazole

Systemtic Name: 5-(4-methylphenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-yl-2H-1,3-thiazole Openeye Name: 4-methylsulfanyl-3-(4-nitrophenyl)-2-(1-piperidyl)-5-(p-tolyl)-2H-thiazole CAS Name: 5-(4-methylphenyl)-4-(methylthio)-3-(4-nitrophenyl)-2-(1-piperidinyl)-2H-thiazole IUPAC Name: 5-(4-methylphenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-2-piperidin-1-yl-2H-1,3-thiazole Traditional Name: 4-(methylthio)-3-(4-nitrophenyl)-2-piperidino-5-(p-tolyl)-4-thiazoline Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(S2)N3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-])SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(S2)N3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-])SC

InChI

InChI=1S/C22H25N3O2S2/c1-16-6-8-17(9-7-16)20-21(28-2)24(18-10-12-19(13-11-18)25(26)27)22(29-20)23-14-4-3-5-15-23/h6-13,22H,3-5,14-15H2,1-2H3