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

Systemtic Name: N-[4-chloranyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide Openeye Name: N-[4-chloro-1-(p-tolylmethyl)pyrazol-3-yl]-4-(2-naphthyloxymethyl)thiophene-2-carboxamide CAS Name: N-[4-chloro-1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4-(2-naphthalenyloxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide Traditional Name: N-[4-chloro-1-(4-methylbenzyl)pyrazol-3-yl]-4-(2-naphthoxymethyl)thiophene-2-carboxamide Formula: C27H22ClN3O2S MolecularWeight: 488.00048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=CC5=CC=CC=C5C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=CC(=CS3)COC4=CC5=CC=CC=C5C=C4)Cl

InChI

InChI=1S/C27H22ClN3O2S/c1-18-6-8-19(9-7-18)14-31-15-24(28)26(30-31)29-27(32)25-12-20(17-34-25)16-33-23-11-10-21-4-2-3-5-22(21)13-23/h2-13,15,17H,14,16H2,1H3,(H,29,30,32)