1-[4-(3-chloranyl-4-piperidin-1-yl-phenyl)-2-(4-methylphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[4-(3-chloranyl-4-piperidin-1-yl-phenyl)-2-(4-methylphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[4-[3-chloro-4-(1-piperidyl)phenyl]-2-(p-tolyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[4-[3-chloro-4-(1-piperidinyl)phenyl]-2-(4-methylphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[4-(3-chloro-4-piperidin-1-ylphenyl)-2-(4-methylphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[4-(3-chloro-4-piperidino-phenyl)-2-(p-tolyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C26H27ClN4OS MolecularWeight: 479.03678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC(=C(C=C3)N4CCCCC4)Cl)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC(=C(C=C3)N4CCCCC4)Cl)C5=CC=CS5

InChI

InChI=1S/C26H27ClN4OS/c1-18-8-10-20(11-9-18)31-26(24-7-6-16-33-24)30(25(28-31)19(2)32)21-12-13-23(22(27)17-21)29-14-4-3-5-15-29/h6-13,16-17,26H,3-5,14-15H2,1-2H3