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

Systemtic Name: 2-heptyl-5-[4-[(E)-hex-2-enoxy]phenyl]-1,3,4-thiadiazole Openeye Name: 2-heptyl-5-[4-[(E)-hex-2-enoxy]phenyl]-1,3,4-thiadiazole CAS Name: 2-heptyl-5-[4-[(E)-hex-2-enoxy]phenyl]-1,3,4-thiadiazole IUPAC Name: 2-heptyl-5-[4-[(E)-hex-2-enoxy]phenyl]-1,3,4-thiadiazole Traditional Name: 2-heptyl-5-[4-[(E)-hex-2-enoxy]phenyl]-1,3,4-thiadiazole Formula: C21H30N2OS MolecularWeight: 358.5407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2OS/c1-3-5-7-9-10-12-20-22-23-21(25-20)18-13-15-19(16-14-18)24-17-11-8-6-4-2/h8,11,13-16H,3-7,9-10,12,17H2,1-2H3/b11-8+