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

Systemtic Name: N-[4-chloranyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[4-chloro-1-(m-tolylmethyl)pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[4-chloro-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[4-chloro-1-(3-methylbenzyl)pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H20ClN3O2S/c1-16-6-5-7-17(10-16)12-27-13-20(24)22(26-27)25-23(28)21-11-18(15-30-21)14-29-19-8-3-2-4-9-19/h2-11,13,15H,12,14H2,1H3,(H,25,26,28)