1-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

Systemtic Name: 1-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Openeye Name: 1-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide CAS Name: 1-methyl-N-[2-[4-(methylthio)phenyl]ethyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide IUPAC Name: 1-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Traditional Name: 1-methyl-N-[2-[4-(methylthio)phenyl]ethyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)NCCC4=CC=C(C=C4)SC

Isomeric SMILES

CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)NCCC4=CC=C(C=C4)SC

InChI

InChI=1S/C21H21N3OS2/c1-24-20-16-5-3-4-6-18(16)27-13-17(20)19(23-24)21(25)22-12-11-14-7-9-15(26-2)10-8-14/h3-10H,11-13H2,1-2H3,(H,22,25)