3-[(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile

Systemtic Name: 3-[(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile Openeye Name: 3-[(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile CAS Name: 3-[[5-(dodecylthio)-1,3,4-thiadiazol-2-yl]thio]-2-pyrazinecarbonitrile IUPAC Name: 3-[(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2-carbonitrile Traditional Name: 3-[[5-(laurylthio)-1,3,4-thiadiazol-2-yl]thio]pyrazinonitrile Formula: C19H27N5S3 MolecularWeight: 421.64618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(S1)SC2=NC=CN=C2C#N

Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(S1)SC2=NC=CN=C2C#N

InChI

InChI=1S/C19H27N5S3/c1-2-3-4-5-6-7-8-9-10-11-14-25-18-23-24-19(27-18)26-17-16(15-20)21-12-13-22-17/h12-13H,2-11,14H2,1H3