N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamide

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-5-(methylthio)-2-thiophenecarboxamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-5-methylsulfanylthiophene-2-carboxamide Traditional Name: N-(1-homoveratrylpyrazol-4-yl)-5-(methylthio)thiophene-2-carboxamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3=CC=C(S3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3=CC=C(S3)SC)OC

InChI

InChI=1S/C19H21N3O3S2/c1-24-15-5-4-13(10-16(15)25-2)8-9-22-12-14(11-20-22)21-19(23)17-6-7-18(26-3)27-17/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)