5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C16H16N6S MolecularWeight: 324.40344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

Isomeric SMILES

CCC1=NC(=NN1)SCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C16H16N6S/c1-3-15-18-16(20-19-15)23-10-14-13(9-17)11(2)21-22(14)12-7-5-4-6-8-12/h4-8H,3,10H2,1-2H3,(H,18,19,20)