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

Systemtic Name: 5-hexyl-2-(4-isothiocyanatophenyl)pyrimidine Openeye Name: 5-hexyl-2-(4-isothiocyanatophenyl)pyrimidine CAS Name: 5-hexyl-2-(4-isothiocyanatophenyl)pyrimidine IUPAC Name: 5-hexyl-2-(4-isothiocyanatophenyl)pyrimidine Traditional Name: 5-hexyl-2-(4-isothiocyanatophenyl)pyrimidine Formula: C17H19N3S MolecularWeight: 297.41786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C17H19N3S/c1-2-3-4-5-6-14-11-18-17(19-12-14)15-7-9-16(10-8-15)20-13-21/h7-12H,2-6H2,1H3