2-[2-(4-ethylcyclohexyl)-5-isothiocyanato-phenyl]pyrimidine

Systemtic Name: 2-[2-(4-ethylcyclohexyl)-5-isothiocyanato-phenyl]pyrimidine Openeye Name: 2-[2-(4-ethylcyclohexyl)-5-isothiocyanato-phenyl]pyrimidine CAS Name: 2-[2-(4-ethylcyclohexyl)-5-isothiocyanatophenyl]pyrimidine IUPAC Name: 2-[2-(4-ethylcyclohexyl)-5-isothiocyanatophenyl]pyrimidine Traditional Name: 2-[2-(4-ethylcyclohexyl)-5-isothiocyanato-phenyl]pyrimidine Formula: C19H21N3S MolecularWeight: 323.45514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2=C(C=C(C=C2)N=C=S)C3=NC=CC=N3

Isomeric SMILES

CCC1CCC(CC1)C2=C(C=C(C=C2)N=C=S)C3=NC=CC=N3

InChI

InChI=1S/C19H21N3S/c1-2-14-4-6-15(7-5-14)17-9-8-16(22-13-23)12-18(17)19-20-10-3-11-21-19/h3,8-12,14-15H,2,4-7H2,1H3