3-[(dihexylamino)methyl]-5-[(dihexylamino)methylsulfanyl]-2H-1,3,4-thiadiazole-2-thiol

Systemtic Name: 3-[(dihexylamino)methyl]-5-[(dihexylamino)methylsulfanyl]-2H-1,3,4-thiadiazole-2-thiol Openeye Name: 3-[(dihexylamino)methyl]-5-[(dihexylamino)methylsulfanyl]-2H-1,3,4-thiadiazole-2-thiol CAS Name: 3-[(dihexylamino)methyl]-5-[(dihexylamino)methylthio]-2H-1,3,4-thiadiazole-2-thiol IUPAC Name: 3-[(dihexylamino)methyl]-5-[(dihexylamino)methylsulfanyl]-2H-1,3,4-thiadiazole-2-thiol Traditional Name: 3-[(dihexylamino)methyl]-5-[(dihexylamino)methylthio]-2H-1,3,4-thiadiazole-2-thiol Formula: C28H58N4S3 MolecularWeight: 546.98192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CN1C(SC(=N1)SCN(CCCCCC)CCCCCC)S

Isomeric SMILES

CCCCCCN(CCCCCC)CN1C(SC(=N1)SCN(CCCCCC)CCCCCC)S

InChI

InChI=1S/C28H58N4S3/c1-5-9-13-17-21-30(22-18-14-10-6-2)25-32-28(33)35-27(29-32)34-26-31(23-19-15-11-7-3)24-20-16-12-8-4/h28,33H,5-26H2,1-4H3