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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=CN2C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=CN2C3CC3)C4=CC=CC=C4

InChI

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