N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-15-9-10-18(13-16(15)2)27-12-11-22-21(25)20-19(26-3)14-24(23-20)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)