2-(4-isothiocyanatophenyl)-5-pent-4-enyl-pyrimidine

Systemtic Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enyl-pyrimidine Openeye Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enyl-pyrimidine CAS Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enylpyrimidine IUPAC Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enylpyrimidine Traditional Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enyl-pyrimidine Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C=CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H15N3S/c1-2-3-4-5-13-10-17-16(18-11-13)14-6-8-15(9-7-14)19-12-20/h2,6-11H,1,3-5H2