2-[2-(4-isothiocyanatophenyl)ethyl]-5-(4-propylphenyl)pyrimidine

Systemtic Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-5-(4-propylphenyl)pyrimidine Openeye Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-5-(4-propylphenyl)pyrimidine CAS Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-5-(4-propylphenyl)pyrimidine IUPAC Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-5-(4-propylphenyl)pyrimidine Traditional Name: 2-[2-(4-isothiocyanatophenyl)ethyl]-5-(4-propylphenyl)pyrimidine Formula: C22H21N3S MolecularWeight: 359.48724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CN=C(N=C2)CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CN=C(N=C2)CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C22H21N3S/c1-2-3-17-4-9-19(10-5-17)20-14-23-22(24-15-20)13-8-18-6-11-21(12-7-18)25-16-26/h4-7,9-12,14-15H,2-3,8,13H2,1H3