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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]aniline Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]aniline CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]aniline IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]aniline Traditional Name: [4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]phenyl]amine Formula: C12H14ClN3S MolecularWeight: 267.77766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=CC=C(C=C2)N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CSC2=CC=C(C=C2)N)Cl)C

InChI

InChI=1S/C12H14ClN3S/c1-8-11(12(13)16(2)15-8)7-17-10-5-3-9(14)4-6-10/h3-6H,7,14H2,1-2H3