4-isothiocyanato-2-[2-(4-pentylcyclohexyl)ethyl]-1-phenyl-benzene

Systemtic Name: 4-isothiocyanato-2-[2-(4-pentylcyclohexyl)ethyl]-1-phenyl-benzene Openeye Name: 4-isothiocyanato-2-[2-(4-pentylcyclohexyl)ethyl]-1-phenyl-benzene CAS Name: 4-isothiocyanato-2-[2-(4-pentylcyclohexyl)ethyl]-1-phenylbenzene IUPAC Name: 4-isothiocyanato-2-[2-(4-pentylcyclohexyl)ethyl]-1-phenylbenzene Traditional Name: 2-[2-(4-amylcyclohexyl)ethyl]-4-isothiocyanato-1-phenyl-benzene Formula: C26H33NS MolecularWeight: 391.61192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)N=C=S)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=C(C=CC(=C2)N=C=S)C3=CC=CC=C3

InChI

InChI=1S/C26H33NS/c1-2-3-5-8-21-11-13-22(14-12-21)15-16-24-19-25(27-20-28)17-18-26(24)23-9-6-4-7-10-23/h4,6-7,9-10,17-19,21-22H,2-3,5,8,11-16H2,1H3