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

Systemtic Name: 5-butyl-2-(4-isothiocyanatophenyl)pyrimidine Openeye Name: 5-butyl-2-(4-isothiocyanatophenyl)pyrimidine CAS Name: 5-butyl-2-(4-isothiocyanatophenyl)pyrimidine IUPAC Name: 5-butyl-2-(4-isothiocyanatophenyl)pyrimidine Traditional Name: 5-butyl-2-(4-isothiocyanatophenyl)pyrimidine Formula: C15H15N3S MolecularWeight: 269.3647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3S/c1-2-3-4-12-9-16-15(17-10-12)13-5-7-14(8-6-13)18-11-19/h5-10H,2-4H2,1H3