2-decyl-5-(4-heptoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-decyl-5-(4-heptoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-decyl-5-(4-heptoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-decyl-5-(4-heptoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-decyl-5-(4-heptoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-decyl-5-(4-heptoxyphenyl)-1,3,4-thiadiazole Formula: C25H40N2OS MolecularWeight: 416.6629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCCCCC

InChI

InChI=1S/C25H40N2OS/c1-3-5-7-9-10-11-12-14-16-24-26-27-25(29-24)22-17-19-23(20-18-22)28-21-15-13-8-6-4-2/h17-20H,3-16,21H2,1-2H3