5-dodecylsulfanyl-3-(phenylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-dodecylsulfanyl-3-(phenylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 3-benzyl-5-dodecylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 5-(dodecylthio)-3-(phenylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-benzyl-5-dodecylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-benzyl-5-(laurylthio)-1,3,4-thiadiazole-2-thione Formula: C21H32N2S3 MolecularWeight: 408.68718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN(C(=S)S1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC1=NN(C(=S)S1)CC2=CC=CC=C2

InChI

InChI=1S/C21H32N2S3/c1-2-3-4-5-6-7-8-9-10-14-17-25-20-22-23(21(24)26-20)18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3