N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2S/c1-13-19(26-27(25-13)17-6-4-3-5-7-17)20(29)24-21-23-18(12-30-21)15-8-10-16(11-9-15)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H,23,24,29)