N-[2-(3,4-diethoxyphenyl)ethyl]-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1,8-dimethyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=NN(C3=C2CSC4=C3C=C(C=C4)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=NN(C3=C2CSC4=C3C=C(C=C4)C)C)OCC

InChI

InChI=1S/C25H29N3O3S/c1-5-30-20-9-8-17(14-21(20)31-6-2)11-12-26-25(29)23-19-15-32-22-10-7-16(3)13-18(22)24(19)28(4)27-23/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,26,29)