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

Systemtic Name: 4-butylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-butylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(butylthio)-6-methyl-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-butylsulfanyl-6-methyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(butylthio)-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Formula: C16H17N3S MolecularWeight: 283.39128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C#N)C)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C#N)C)C2=CC=CC=C2

InChI

InChI=1S/C16H17N3S/c1-3-4-10-20-16-14(11-17)12(2)18-15(19-16)13-8-6-5-7-9-13/h5-9H,3-4,10H2,1-2H3