1-butyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]cyclohexyl]benzene

Systemtic Name: 1-butyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]cyclohexyl]benzene Openeye Name: 1-butyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]cyclohexyl]benzene CAS Name: 1-butyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]cyclohexyl]benzene IUPAC Name: 1-butyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]cyclohexyl]benzene Traditional Name: 1-butyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]cyclohexyl]benzene Formula: C25H31NS MolecularWeight: 377.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C25H31NS/c1-2-3-4-20-7-13-23(14-8-20)24-15-9-21(10-16-24)5-6-22-11-17-25(18-12-22)26-19-27/h7-8,11-14,17-18,21,24H,2-6,9-10,15-16H2,1H3