4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-(phenethylthio)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-phenethylsulfanyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-methyl-6-(phenethylthio)-2-phenyl-pyrimidine-5-carbonitrile Formula: C20H17N3S MolecularWeight: 331.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3S/c1-15-18(14-21)20(24-13-12-16-8-4-2-5-9-16)23-19(22-15)17-10-6-3-7-11-17/h2-11H,12-13H2,1H3