N-(3-chloranyl-4-methyl-phenyl)-4-methyl-pyrazole-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-methyl-pyrazole-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-methyl-pyrazole-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-methyl-1-pyrazolecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-methylpyrazole-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-methyl-pyrazole-1-carbothioamide Formula: C12H12ClN3S MolecularWeight: 265.76178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2C=C(C=N2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2C=C(C=N2)C)Cl

InChI

InChI=1S/C12H12ClN3S/c1-8-6-14-16(7-8)12(17)15-10-4-3-9(2)11(13)5-10/h3-7H,1-2H3,(H,15,17)