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

Systemtic Name: 2-(4-isothiocyanatophenyl)-5-pentyl-pyrimidine Openeye Name: 2-(4-isothiocyanatophenyl)-5-pentyl-pyrimidine CAS Name: 2-(4-isothiocyanatophenyl)-5-pentylpyrimidine IUPAC Name: 2-(4-isothiocyanatophenyl)-5-pentylpyrimidine Traditional Name: 5-amyl-2-(4-isothiocyanatophenyl)pyrimidine Formula: C16H17N3S MolecularWeight: 283.39128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H17N3S/c1-2-3-4-5-13-10-17-16(18-11-13)14-6-8-15(9-7-14)19-12-20/h6-11H,2-5H2,1H3