4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 4-methyl-2-phenyl-6-(3-phenylpropylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 4-methyl-2-phenyl-6-(3-phenylpropylthio)pyrimidine-5-carbonitrile Formula: C21H19N3S MolecularWeight: 345.46066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H19N3S/c1-16-19(15-22)21(24-20(23-16)18-12-6-3-7-13-18)25-14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13H,8,11,14H2,1H3