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

Systemtic Name: 1-[3-(4-butylcyclohexyl)propoxy]-4-isothiocyanato-benzene Openeye Name: 1-[3-(4-butylcyclohexyl)propoxy]-4-isothiocyanato-benzene CAS Name: 1-[3-(4-butylcyclohexyl)propoxy]-4-isothiocyanatobenzene IUPAC Name: 1-[3-(4-butylcyclohexyl)propoxy]-4-isothiocyanatobenzene Traditional Name: 1-[3-(4-butylcyclohexyl)propoxy]-4-isothiocyanato-benzene Formula: C20H29NOS MolecularWeight: 331.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCC1CCC(CC1)CCCOC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C20H29NOS/c1-2-3-5-17-7-9-18(10-8-17)6-4-15-22-20-13-11-19(12-14-20)21-16-23/h11-14,17-18H,2-10,15H2,1H3