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

Systemtic Name: 5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C20H18N6S2 MolecularWeight: 406.52712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)C4=CC=CS4

InChI

InChI=1S/C20H18N6S2/c1-3-25-19(18-10-7-11-27-18)22-23-20(25)28-13-17-16(12-21)14(2)24-26(17)15-8-5-4-6-9-15/h4-11H,3,13H2,1-2H3