4-chloranyl-3-isothiocyanato-1-[(3-methylphenyl)methyl]pyrazole

Systemtic Name: 4-chloranyl-3-isothiocyanato-1-[(3-methylphenyl)methyl]pyrazole Openeye Name: 4-chloro-3-isothiocyanato-1-(m-tolylmethyl)pyrazole CAS Name: 4-chloro-3-isothiocyanato-1-[(3-methylphenyl)methyl]pyrazole IUPAC Name: 4-chloro-3-isothiocyanato-1-[(3-methylphenyl)methyl]pyrazole Traditional Name: 4-chloro-3-isothiocyanato-1-(3-methylbenzyl)pyrazole Formula: C12H10ClN3S MolecularWeight: 263.7459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)N=C=S)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)N=C=S)Cl

InChI

InChI=1S/C12H10ClN3S/c1-9-3-2-4-10(5-9)6-16-7-11(13)12(15-16)14-8-17/h2-5,7H,6H2,1H3