5-(3-methylimidazol-4-yl)-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-(3-methylimidazol-4-yl)-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(3-methylimidazol-4-yl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(3-methyl-4-imidazolyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(3-methylimidazol-4-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(3-methylimidazol-4-yl)-1H-pyrazole-4-carbonitrile Formula: C15H13N5S MolecularWeight: 295.36222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CN1C=NC=C1C2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C15H13N5S/c1-20-10-17-8-13(20)14-12(7-16)15(19-18-14)21-9-11-5-3-2-4-6-11/h2-6,8,10H,9H2,1H3,(H,18,19)