2-pentyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole

Systemtic Name: 2-pentyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole Openeye Name: 2-pentyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole CAS Name: 2-pentyl-5-[4-(4-pentylcyclohexyl)-3-propoxyphenyl]-1,3,4-thiadiazole IUPAC Name: 2-pentyl-5-[4-(4-pentylcyclohexyl)-3-propoxyphenyl]-1,3,4-thiadiazole Traditional Name: 2-amyl-5-[4-(4-amylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole Formula: C27H42N2OS MolecularWeight: 442.70018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=C(C=C(C=C2)C3=NN=C(S3)CCCCC)OCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=C(C=C(C=C2)C3=NN=C(S3)CCCCC)OCCC

InChI

InChI=1S/C27H42N2OS/c1-4-7-9-11-21-13-15-22(16-14-21)24-18-17-23(20-25(24)30-19-6-3)27-29-28-26(31-27)12-10-8-5-2/h17-18,20-22H,4-16,19H2,1-3H3