2-(benzotriazol-1-ylmethylsulfanyl)-5-dodecylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)-5-dodecylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)-5-dodecylsulfanyl-1,3,4-thiadiazole CAS Name: 2-(1-benzotriazolylmethylthio)-5-(dodecylthio)-1,3,4-thiadiazole IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)-5-dodecylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-(benzotriazol-1-ylmethylthio)-5-(laurylthio)-1,3,4-thiadiazole Formula: C21H31N5S3 MolecularWeight: 449.69934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(S1)SCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(S1)SCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H31N5S3/c1-2-3-4-5-6-7-8-9-10-13-16-27-20-23-24-21(29-20)28-17-26-19-15-12-11-14-18(19)22-25-26/h11-12,14-15H,2-10,13,16-17H2,1H3