5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C19H15N5S MolecularWeight: 345.4209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C19H15N5S/c1-13-15(11-20)18(24(23-13)14-7-3-2-4-8-14)12-25-19-21-16-9-5-6-10-17(16)22-19/h2-10H,12H2,1H3,(H,21,22)