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

Systemtic Name: 5-decyl-2-(4-isothiocyanatophenyl)pyrimidine Openeye Name: 5-decyl-2-(4-isothiocyanatophenyl)pyrimidine CAS Name: 5-decyl-2-(4-isothiocyanatophenyl)pyrimidine IUPAC Name: 5-decyl-2-(4-isothiocyanatophenyl)pyrimidine Traditional Name: 5-decyl-2-(4-isothiocyanatophenyl)pyrimidine Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C21H27N3S/c1-2-3-4-5-6-7-8-9-10-18-15-22-21(23-16-18)19-11-13-20(14-12-19)24-17-25/h11-16H,2-10H2,1H3