N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N6O2S/c1-16(32)27-19-9-10-21-22(12-19)34-25(28-21)29-24(33)20-15-31(14-17-6-3-2-4-7-17)30-23(20)18-8-5-11-26-13-18/h2-13,15H,14H2,1H3,(H,27,32)(H,28,29,33)