N2-(4-azanyl-1-phenyl-pyrazol-3-yl)-3-methyl-1-benzothiophene-2,6-dicarboxamide

Systemtic Name: N2-(4-azanyl-1-phenyl-pyrazol-3-yl)-3-methyl-1-benzothiophene-2,6-dicarboxamide Openeye Name: N2-(4-amino-1-phenyl-pyrazol-3-yl)-3-methyl-benzothiophene-2,6-dicarboxamide CAS Name: N2-(4-amino-1-phenyl-3-pyrazolyl)-3-methyl-1-benzothiophene-2,6-dicarboxamide IUPAC Name: 2-N-(4-amino-1-phenylpyrazol-3-yl)-3-methyl-1-benzothiophene-2,6-dicarboxamide Traditional Name: N-(4-amino-1-phenyl-pyrazol-3-yl)-3-methyl-benzothiophene-2,6-dicarboxamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=CC(=C2)C(=O)N)C(=O)NC3=NN(C=C3N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C=CC(=C2)C(=O)N)C(=O)NC3=NN(C=C3N)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-11-14-8-7-12(18(22)26)9-16(14)28-17(11)20(27)23-19-15(21)10-25(24-19)13-5-3-2-4-6-13/h2-10H,21H2,1H3,(H2,22,26)(H,23,24,27)