N-(4-azanyl-1-phenyl-pyrazol-3-yl)-2-[methyl(phenethyl)amino]-1,3-thiazole-5-carboxamide

Systemtic Name: N-(4-azanyl-1-phenyl-pyrazol-3-yl)-2-[methyl(phenethyl)amino]-1,3-thiazole-5-carboxamide Openeye Name: N-(4-amino-1-phenyl-pyrazol-3-yl)-2-[methyl(phenethyl)amino]thiazole-5-carboxamide CAS Name: N-(4-amino-1-phenyl-3-pyrazolyl)-2-[methyl(phenethyl)amino]-5-thiazolecarboxamide IUPAC Name: N-(4-amino-1-phenylpyrazol-3-yl)-2-[methyl(phenethyl)amino]-1,3-thiazole-5-carboxamide Traditional Name: N-(4-amino-1-phenyl-pyrazol-3-yl)-2-[methyl(phenethyl)amino]thiazole-5-carboxamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2=NC=C(S2)C(=O)NC3=NN(C=C3N)C4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC=CC=C1)C2=NC=C(S2)C(=O)NC3=NN(C=C3N)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6OS/c1-27(13-12-16-8-4-2-5-9-16)22-24-14-19(30-22)21(29)25-20-18(23)15-28(26-20)17-10-6-3-7-11-17/h2-11,14-15H,12-13,23H2,1H3,(H,25,26,29)