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

Systemtic Name: 2-butyl-5-[2-(2-cyclohexyl-4-pentan-2-yl-phenyl)ethyl]-1,3,4-thiadiazole Openeye Name: 2-butyl-5-[2-[2-cyclohexyl-4-(1-methylbutyl)phenyl]ethyl]-1,3,4-thiadiazole CAS Name: 2-butyl-5-[2-(2-cyclohexyl-4-pentan-2-ylphenyl)ethyl]-1,3,4-thiadiazole IUPAC Name: 2-butyl-5-[2-(2-cyclohexyl-4-pentan-2-ylphenyl)ethyl]-1,3,4-thiadiazole Traditional Name: 2-butyl-5-[2-[2-cyclohexyl-4-(1-methylbutyl)phenyl]ethyl]-1,3,4-thiadiazole Formula: C25H38N2S MolecularWeight: 398.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)CCC2=C(C=C(C=C2)C(C)CCC)C3CCCCC3

Isomeric SMILES

CCCCC1=NN=C(S1)CCC2=C(C=C(C=C2)C(C)CCC)C3CCCCC3

InChI

InChI=1S/C25H38N2S/c1-4-6-13-24-26-27-25(28-24)17-16-21-14-15-22(19(3)10-5-2)18-23(21)20-11-8-7-9-12-20/h14-15,18-20H,4-13,16-17H2,1-3H3