5-chloranyl-1-methyl-4-[(3-methylphenyl)sulfanylmethyl]-3-phenyl-pyrazole

Systemtic Name: 5-chloranyl-1-methyl-4-[(3-methylphenyl)sulfanylmethyl]-3-phenyl-pyrazole Openeye Name: 5-chloro-1-methyl-4-(m-tolylsulfanylmethyl)-3-phenyl-pyrazole CAS Name: 5-chloro-1-methyl-4-[[(3-methylphenyl)thio]methyl]-3-phenylpyrazole IUPAC Name: 5-chloro-1-methyl-4-[(3-methylphenyl)sulfanylmethyl]-3-phenylpyrazole Traditional Name: 5-chloro-1-methyl-4-[(m-tolylthio)methyl]-3-phenyl-pyrazole Formula: C18H17ClN2S MolecularWeight: 328.85898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC2=C(N(N=C2C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)SCC2=C(N(N=C2C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C18H17ClN2S/c1-13-7-6-10-15(11-13)22-12-16-17(20-21(2)18(16)19)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3