3,5-bis(heptylsulfanyl)-1,2-thiazole-4-carbonitrile

Systemtic Name: 3,5-bis(heptylsulfanyl)-1,2-thiazole-4-carbonitrile Openeye Name: 3,5-bis(heptylsulfanyl)isothiazole-4-carbonitrile CAS Name: 3,5-bis(heptylthio)-4-isothiazolecarbonitrile IUPAC Name: 3,5-bis(heptylsulfanyl)-1,2-thiazole-4-carbonitrile Traditional Name: 3,5-bis(heptylthio)isothiazole-4-carbonitrile Formula: C18H30N2S3 MolecularWeight: 370.6392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C(=NS1)SCCCCCCC)C#N

Isomeric SMILES

CCCCCCCSC1=C(C(=NS1)SCCCCCCC)C#N

InChI

InChI=1S/C18H30N2S3/c1-3-5-7-9-11-13-21-17-16(15-19)18(23-20-17)22-14-12-10-8-6-4-2/h3-14H2,1-2H3