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

Systemtic Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamide Openeye Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamide CAS Name: N-[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]-5-(methylthio)-2-thiophenecarboxamide IUPAC Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-5-methylsulfanylthiophene-2-carboxamide Traditional Name: 5-(methylthio)-N-(1-o-veratrylpyrazol-4-yl)thiophene-2-carboxamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=O)C3=CC=C(S3)SC

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C=C(C=N2)NC(=O)C3=CC=C(S3)SC

InChI

InChI=1S/C18H19N3O3S2/c1-23-14-6-4-5-12(17(14)24-2)10-21-11-13(9-19-21)20-18(22)15-7-8-16(25-3)26-15/h4-9,11H,10H2,1-3H3,(H,20,22)