5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(4-bromophenyl)thio]-1-methyl-3-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(4-bromophenyl)thio]-1-methyl-3-phenyl-pyrazole-4-carbonitrile Formula: C17H12BrN3S MolecularWeight: 370.26628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3S/c1-21-17(22-14-9-7-13(18)8-10-14)15(11-19)16(20-21)12-5-3-2-4-6-12/h2-10H,1H3