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

Systemtic Name: 2-(4-isothiocyanatophenyl)-5-propyl-pyrimidine Openeye Name: 2-(4-isothiocyanatophenyl)-5-propyl-pyrimidine CAS Name: 2-(4-isothiocyanatophenyl)-5-propylpyrimidine IUPAC Name: 2-(4-isothiocyanatophenyl)-5-propylpyrimidine Traditional Name: 2-(4-isothiocyanatophenyl)-5-propyl-pyrimidine Formula: C14H13N3S MolecularWeight: 255.33812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C14H13N3S/c1-2-3-11-8-15-14(16-9-11)12-4-6-13(7-5-12)17-10-18/h4-9H,2-3H2,1H3