N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-methyl-pyrazole-3-carboxamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H18N4OS2/c1-24-11-10-14(23-24)18(25)22-20-17(12-6-2-4-8-15(12)26-20)19-21-13-7-3-5-9-16(13)27-19/h3,5,7,9-11H,2,4,6,8H2,1H3,(H,22,25)