N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methyl-5-(methylamino)isothiazole-4-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-methyl-5-(methylamino)-4-isothiazolecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methyl-5-(methylamino)isothiazole-4-carboxamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)NC

InChI

InChI=1S/C22H21N5OS/c1-15-19(22(23-2)29-26-15)21(28)24-13-17-14-27(18-11-7-4-8-12-18)25-20(17)16-9-5-3-6-10-16/h3-12,14,23H,13H2,1-2H3,(H,24,28)