N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C20H19N3OS/c1-13-21-10-9-18(22-13)14-5-4-6-15(11-14)23-20(24)17-12-25-19-8-3-2-7-16(17)19/h4-6,9-12H,2-3,7-8H2,1H3,(H,23,24)