2-[4-[4-[(E)-but-2-enoxy]phenyl]phenyl]-5-heptyl-1,3,4-thiadiazole

Systemtic Name: 2-[4-[4-[(E)-but-2-enoxy]phenyl]phenyl]-5-heptyl-1,3,4-thiadiazole Openeye Name: 2-[4-[4-[(E)-but-2-enoxy]phenyl]phenyl]-5-heptyl-1,3,4-thiadiazole CAS Name: 2-[4-[4-[(E)-but-2-enoxy]phenyl]phenyl]-5-heptyl-1,3,4-thiadiazole IUPAC Name: 2-[4-[4-[(E)-but-2-enoxy]phenyl]phenyl]-5-heptyl-1,3,4-thiadiazole Traditional Name: 2-[4-[4-[(E)-but-2-enoxy]phenyl]phenyl]-5-heptyl-1,3,4-thiadiazole Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC=CC

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC/C=C/C

InChI

InChI=1S/C25H30N2OS/c1-3-5-7-8-9-10-24-26-27-25(29-24)22-13-11-20(12-14-22)21-15-17-23(18-16-21)28-19-6-4-2/h4,6,11-18H,3,5,7-10,19H2,1-2H3/b6-4+