4-[(4-chloranylpyrazol-1-yl)methyl]-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[5-methyl-1-(m-tolylmethyl)pyrazol-3-yl]thiophene-2-carboxamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-N-[5-methyl-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[5-methyl-1-(3-methylbenzyl)pyrazol-3-yl]thiophene-2-carboxamide Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC(=N2)NC(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC(=N2)NC(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl)C

InChI

InChI=1S/C21H20ClN5OS/c1-14-4-3-5-16(6-14)11-27-15(2)7-20(25-27)24-21(28)19-8-17(13-29-19)10-26-12-18(22)9-23-26/h3-9,12-13H,10-11H2,1-2H3,(H,24,25,28)