2-[5-(4-iodophenyl)-4-(4-methylcyclohexyl)-1-phenyl-piperazin-2-yl]-1,3,4-thiadiazole

Systemtic Name: 2-[5-(4-iodophenyl)-4-(4-methylcyclohexyl)-1-phenyl-piperazin-2-yl]-1,3,4-thiadiazole Openeye Name: 2-[5-(4-iodophenyl)-4-(4-methylcyclohexyl)-1-phenyl-piperazin-2-yl]-1,3,4-thiadiazole CAS Name: 2-[5-(4-iodophenyl)-4-(4-methylcyclohexyl)-1-phenyl-2-piperazinyl]-1,3,4-thiadiazole IUPAC Name: 2-[5-(4-iodophenyl)-4-(4-methylcyclohexyl)-1-phenylpiperazin-2-yl]-1,3,4-thiadiazole Traditional Name: 2-[5-(4-iodophenyl)-4-(4-methylcyclohexyl)-1-phenyl-piperazin-2-yl]-1,3,4-thiadiazole Formula: C25H29IN4S MolecularWeight: 544.49403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CC(N(CC2C3=CC=C(C=C3)I)C4=CC=CC=C4)C5=NN=CS5

Isomeric SMILES

CC1CCC(CC1)N2CC(N(CC2C3=CC=C(C=C3)I)C4=CC=CC=C4)C5=NN=CS5

InChI

InChI=1S/C25H29IN4S/c1-18-7-13-22(14-8-18)29-16-24(25-28-27-17-31-25)30(21-5-3-2-4-6-21)15-23(29)19-9-11-20(26)12-10-19/h2-6,9-12,17-18,22-24H,7-8,13-16H2,1H3