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

Systemtic Name: 5-chloranyl-1-methyl-3,4-bis[(4-methylphenyl)sulfanylmethyl]pyrazole Openeye Name: 5-chloro-1-methyl-3,4-bis(p-tolylsulfanylmethyl)pyrazole CAS Name: 5-chloro-1-methyl-3,4-bis[[(4-methylphenyl)thio]methyl]pyrazole IUPAC Name: 5-chloro-1-methyl-3,4-bis[(4-methylphenyl)sulfanylmethyl]pyrazole Traditional Name: 5-chloro-1-methyl-3,4-bis[(p-tolylthio)methyl]pyrazole Formula: C20H21ClN2S2 MolecularWeight: 388.97714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(N(N=C2CSC3=CC=C(C=C3)C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(N(N=C2CSC3=CC=C(C=C3)C)C)Cl

InChI

InChI=1S/C20H21ClN2S2/c1-14-4-8-16(9-5-14)24-12-18-19(22-23(3)20(18)21)13-25-17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3