N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C23H18ClN3O2S MolecularWeight: 435.92592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O2S/c1-29-17-10-6-15(7-11-17)20-14-21(27-26-20)23(28)25-19-4-2-3-5-22(19)30-18-12-8-16(24)9-13-18/h2-14H,1H3,(H,25,28)(H,26,27)