N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-1-benzyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-benzyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-1-benzyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NC4=NC(=CS4)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NC4=NC(=CS4)CC(=O)N

InChI

InChI=1S/C21H18N6O2S/c22-18(28)9-16-13-30-21(24-16)25-20(29)17-12-27(11-14-5-2-1-3-6-14)26-19(17)15-7-4-8-23-10-15/h1-8,10,12-13H,9,11H2,(H2,22,28)(H,24,25,29)