2-(2-isothiocyanatophenyl)-5-non-8-enyl-pyrimidine

Systemtic Name: 2-(2-isothiocyanatophenyl)-5-non-8-enyl-pyrimidine Openeye Name: 2-(2-isothiocyanatophenyl)-5-non-8-enyl-pyrimidine CAS Name: 2-(2-isothiocyanatophenyl)-5-non-8-enylpyrimidine IUPAC Name: 2-(2-isothiocyanatophenyl)-5-non-8-enylpyrimidine Traditional Name: 2-(2-isothiocyanatophenyl)-5-non-8-enyl-pyrimidine Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2N=C=S

Isomeric SMILES

C=CCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2N=C=S

InChI

InChI=1S/C20H23N3S/c1-2-3-4-5-6-7-8-11-17-14-21-20(22-15-17)18-12-9-10-13-19(18)23-16-24/h2,9-10,12-15H,1,3-8,11H2