2-[2-(2-cyclohexyl-4-pentan-2-yl-phenyl)ethyl]-5-heptyl-1,3,4-thiadiazole

Systemtic Name: 2-[2-(2-cyclohexyl-4-pentan-2-yl-phenyl)ethyl]-5-heptyl-1,3,4-thiadiazole Openeye Name: 2-[2-[2-cyclohexyl-4-(1-methylbutyl)phenyl]ethyl]-5-heptyl-1,3,4-thiadiazole CAS Name: 2-[2-(2-cyclohexyl-4-pentan-2-ylphenyl)ethyl]-5-heptyl-1,3,4-thiadiazole IUPAC Name: 2-[2-(2-cyclohexyl-4-pentan-2-ylphenyl)ethyl]-5-heptyl-1,3,4-thiadiazole Traditional Name: 2-[2-[2-cyclohexyl-4-(1-methylbutyl)phenyl]ethyl]-5-heptyl-1,3,4-thiadiazole Formula: C28H44N2S MolecularWeight: 440.72736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)CCC2=C(C=C(C=C2)C(C)CCC)C3CCCCC3

Isomeric SMILES

CCCCCCCC1=NN=C(S1)CCC2=C(C=C(C=C2)C(C)CCC)C3CCCCC3

InChI

InChI=1S/C28H44N2S/c1-4-6-7-8-12-16-27-29-30-28(31-27)20-19-24-17-18-25(22(3)13-5-2)21-26(24)23-14-10-9-11-15-23/h17-18,21-23H,4-16,19-20H2,1-3H3