2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-5-methyl-aniline

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-5-methyl-aniline Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-5-methyl-aniline CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]-5-methylaniline IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]-5-methylaniline Traditional Name: [2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]-5-methyl-phenyl]amine Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=C(N(N=C2C)C)Cl)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=C(N(N=C2C)C)Cl)N

InChI

InChI=1S/C13H16ClN3S/c1-8-4-5-12(11(15)6-8)18-7-10-9(2)16-17(3)13(10)14/h4-6H,7,15H2,1-3H3