N-(2-dimethylaminoethyl)-6-fluoranyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide dihydrate

Systemtic Name: N-(2-dimethylaminoethyl)-6-fluoranyl-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide dihydrate Openeye Name: N-(2-dimethylaminoethyl)-6-fluoro-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide dihydrate CAS Name: N-(2-dimethylaminoethyl)-6-fluoro-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide dihydrate IUPAC Name: N-(2-dimethylaminoethyl)-6-fluoro-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide dihydrate Traditional Name: N-(2-dimethylaminoethyl)-6-fluoro-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide dihydrate Formula: C21H25FN4O3S MolecularWeight: 432.511603

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=NN(C2=C1CSC3=C2C=CC=C3F)C4=CC=CC=C4.O.O

Isomeric SMILES

CN(C)CCNC(=O)C1=NN(C2=C1CSC3=C2C=CC=C3F)C4=CC=CC=C4.O.O

InChI

InChI=1S/C21H21FN4OS.2H2O/c1-25(2)12-11-23-21(27)18-16-13-28-20-15(9-6-10-17(20)22)19(16)26(24-18)14-7-4-3-5-8-14;;/h3-10H,11-13H2,1-2H3,(H,23,27);2*1H2