6-(1,3-benzothiazol-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)NCCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H24N4OS/c30-24(26-16-14-18-10-12-19(13-11-18)29-17-5-15-27-29)20-6-1-2-7-21(20)25-28-22-8-3-4-9-23(22)31-25/h1-5,8-13,15,17,20-21H,6-7,14,16H2,(H,26,30)