3-chloranyl-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4-methylsulfonyl-thiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4-methylsulfonyl-thiophene-2-carboxamide Openeye Name: 3-chloro-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4-methylsulfonyl-thiophene-2-carboxamide CAS Name: 3-chloro-N-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-4-methylsulfonyl-2-thiophenecarboxamide IUPAC Name: 3-chloro-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4-methylsulfonylthiophene-2-carboxamide Traditional Name: 3-chloro-N-[1-(3-cyanobenzyl)pyrazol-4-yl]-4-mesyl-thiophene-2-carboxamide Formula: C17H13ClN4O3S2 MolecularWeight: 420.89312

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H13ClN4O3S2/c1-27(24,25)14-10-26-16(15(14)18)17(23)21-13-7-20-22(9-13)8-12-4-2-3-11(5-12)6-19/h2-5,7,9-10H,8H2,1H3,(H,21,23)