1-(4-heptylcyclohexyl)-4-(4-isothiocyanatophenyl)benzene

Systemtic Name: 1-(4-heptylcyclohexyl)-4-(4-isothiocyanatophenyl)benzene Openeye Name: 1-(4-heptylcyclohexyl)-4-(4-isothiocyanatophenyl)benzene CAS Name: 1-(4-heptylcyclohexyl)-4-(4-isothiocyanatophenyl)benzene IUPAC Name: 1-(4-heptylcyclohexyl)-4-(4-isothiocyanatophenyl)benzene Traditional Name: 1-(4-heptylcyclohexyl)-4-(4-isothiocyanatophenyl)benzene Formula: C26H33NS MolecularWeight: 391.61192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C26H33NS/c1-2-3-4-5-6-7-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-18-26(19-17-25)27-20-28/h12-19,21-22H,2-11H2,1H3