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

Systemtic Name: 5-heptyl-2-(4-isothiocyanatophenyl)pyrimidine Openeye Name: 5-heptyl-2-(4-isothiocyanatophenyl)pyrimidine CAS Name: 5-heptyl-2-(4-isothiocyanatophenyl)pyrimidine IUPAC Name: 5-heptyl-2-(4-isothiocyanatophenyl)pyrimidine Traditional Name: 5-heptyl-2-(4-isothiocyanatophenyl)pyrimidine Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C18H21N3S/c1-2-3-4-5-6-7-15-12-19-18(20-13-15)16-8-10-17(11-9-16)21-14-22/h8-13H,2-7H2,1H3