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

Systemtic Name: 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C17H16N6S MolecularWeight: 336.41414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NNC(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NNC(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C17H16N6S/c1-11-14(9-18)15(23(22-11)13-5-3-2-4-6-13)10-24-17-19-16(20-21-17)12-7-8-12/h2-6,12H,7-8,10H2,1H3,(H,19,20,21)