2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)-3-propoxy-2H-1,3,4-thiadiazole

Systemtic Name: 2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)-3-propoxy-2H-1,3,4-thiadiazole Openeye Name: 2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)-3-propoxy-2H-1,3,4-thiadiazole CAS Name: 2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)-3-propoxy-2H-1,3,4-thiadiazole IUPAC Name: 2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)-3-propoxy-2H-1,3,4-thiadiazole Traditional Name: 5-(4-amylcyclohexyl)-2-(4-heptoxyphenyl)-3-propoxy-2H-1,3,4-thiadiazole Formula: C29H48N2O2S MolecularWeight: 488.76862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2N(N=C(S2)C3CCC(CC3)CCCCC)OCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2N(N=C(S2)C3CCC(CC3)CCCCC)OCCC

InChI

InChI=1S/C29H48N2O2S/c1-4-7-9-10-12-23-32-27-20-18-26(19-21-27)29-31(33-22-6-3)30-28(34-29)25-16-14-24(15-17-25)13-11-8-5-2/h18-21,24-25,29H,4-17,22-23H2,1-3H3