2-(4-isothiocyanatophenyl)-5-octyl-pyrimidine

Systemtic Name: 2-(4-isothiocyanatophenyl)-5-octyl-pyrimidine Openeye Name: 2-(4-isothiocyanatophenyl)-5-octyl-pyrimidine CAS Name: 2-(4-isothiocyanatophenyl)-5-octylpyrimidine IUPAC Name: 2-(4-isothiocyanatophenyl)-5-octylpyrimidine Traditional Name: 2-(4-isothiocyanatophenyl)-5-octyl-pyrimidine Formula: C19H23N3S MolecularWeight: 325.47102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3S/c1-2-3-4-5-6-7-8-16-13-20-19(21-14-16)17-9-11-18(12-10-17)22-15-23/h9-14H,2-8H2,1H3