1-isothiocyanato-4-[3-(4-pentylcyclohexyl)propoxy]benzene

Systemtic Name: 1-isothiocyanato-4-[3-(4-pentylcyclohexyl)propoxy]benzene Openeye Name: 1-isothiocyanato-4-[3-(4-pentylcyclohexyl)propoxy]benzene CAS Name: 1-isothiocyanato-4-[3-(4-pentylcyclohexyl)propoxy]benzene IUPAC Name: 1-isothiocyanato-4-[3-(4-pentylcyclohexyl)propoxy]benzene Traditional Name: 1-[3-(4-amylcyclohexyl)propoxy]-4-isothiocyanato-benzene Formula: C21H31NOS MolecularWeight: 345.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C21H31NOS/c1-2-3-4-6-18-8-10-19(11-9-18)7-5-16-23-21-14-12-20(13-15-21)22-17-24/h12-15,18-19H,2-11,16H2,1H3