2-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-thiazole-5-carboxamide Openeye Name: 2-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiazole-5-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-2-phenyl-5-thiazolecarboxamide IUPAC Name: 2-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-thiazole-5-carboxamide Traditional Name: 2-phenyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiazole-5-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN=C(S2)C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN=C(S2)C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C21H18N6O2S/c1-14(27-13-22-12-24-27)19(28)25-16-7-9-17(10-8-16)26-20(29)18-11-23-21(30-18)15-5-3-2-4-6-15/h2-14H,1H3,(H,25,28)(H,26,29)