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

Systemtic Name: 3-methyl-5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[(3-methyl-2-quinoxalinyl)thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[[(3-methylquinoxalin-2-yl)thio]methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C21H17N5S MolecularWeight: 371.45818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3N=C2C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3N=C2C)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5S/c1-14-17(12-22)20(26(25-14)16-8-4-3-5-9-16)13-27-21-15(2)23-18-10-6-7-11-19(18)24-21/h3-11H,13H2,1-2H3