N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(1-phenylpyrazol-4-yl)ethanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(1-phenylpyrazol-4-yl)ethanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-(1-phenylpyrazol-4-yl)acetamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(1-phenylpyrazol-4-yl)acetamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-(1-phenylpyrazol-4-yl)acetamide Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CC3=CN(N=C3)C4=CC=CC=C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)CC3=CN(N=C3)C4=CC=CC=C4)C=C(C=C2)Cl

InChI

InChI=1S/C20H18ClN3OS/c21-15-6-7-19-17(11-15)18(8-9-26-19)23-20(25)10-14-12-22-24(13-14)16-4-2-1-3-5-16/h1-7,11-13,18H,8-10H2,(H,23,25)