2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylaniline

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylaniline Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylaniline CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]aniline IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylaniline Traditional Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]phenyl]amine Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=CC=C3N

InChI

InChI=1S/C17H17N3S/c1-12-17(21-16-11-7-6-10-15(16)18)13(2)20(19-12)14-8-4-3-5-9-14/h3-11H,18H2,1-2H3