1-methyl-3-phenyl-5-phenylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-3-phenyl-5-phenylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 1-methyl-3-phenyl-5-phenylsulfanyl-pyrazole-4-carbonitrile CAS Name: 1-methyl-3-phenyl-5-(phenylthio)-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-3-phenyl-5-phenylsulfanylpyrazole-4-carbonitrile Traditional Name: 1-methyl-3-phenyl-5-(phenylthio)pyrazole-4-carbonitrile Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)SC3=CC=CC=C3

InChI

InChI=1S/C17H13N3S/c1-20-17(21-14-10-6-3-7-11-14)15(12-18)16(19-20)13-8-4-2-5-9-13/h2-11H,1H3