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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCC2CCC(CC2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCC2CCC(CC2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C25H31NS/c1-2-3-4-20-5-7-21(8-6-20)9-10-22-11-13-23(14-12-22)24-15-17-25(18-16-24)26-19-27/h5-8,15-18,22-23H,2-4,9-14H2,1H3