1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

Systemtic Name: 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Openeye Name: 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide CAS Name: 1,8-dimethyl-N-[3-(methylthio)phenyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide IUPAC Name: 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Traditional Name: 1,8-dimethyl-N-[3-(methylthio)phenyl]-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)NC4=CC(=CC=C4)SC)C

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)NC4=CC(=CC=C4)SC)C

InChI

InChI=1S/C20H19N3OS2/c1-12-7-8-17-15(9-12)19-16(11-26-17)18(22-23(19)2)20(24)21-13-5-4-6-14(10-13)25-3/h4-10H,11H2,1-3H3,(H,21,24)