1-heptyl-4-(5-propyl-1,3-dithian-2-yl)cyclohexane-1-carbonitrile

Systemtic Name: 1-heptyl-4-(5-propyl-1,3-dithian-2-yl)cyclohexane-1-carbonitrile Openeye Name: 1-heptyl-4-(5-propyl-1,3-dithian-2-yl)cyclohexanecarbonitrile CAS Name: 1-heptyl-4-(5-propyl-1,3-dithian-2-yl)-1-cyclohexanecarbonitrile IUPAC Name: 1-heptyl-4-(5-propyl-1,3-dithian-2-yl)cyclohexane-1-carbonitrile Traditional Name: 1-heptyl-4-(5-propyl-1,3-dithian-2-yl)cyclohexanecarbonitrile Formula: C21H37NS2 MolecularWeight: 367.65518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2SCC(CS2)CCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2SCC(CS2)CCC)C#N

InChI

InChI=1S/C21H37NS2/c1-3-5-6-7-8-12-21(17-22)13-10-19(11-14-21)20-23-15-18(9-4-2)16-24-20/h18-20H,3-16H2,1-2H3