N-[4-(methylcarbamoylamino)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[4-(methylcarbamoylamino)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-[4-(methylcarbamoylamino)phenyl]-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-[4-(methylcarbamoylamino)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[4-(methylcarbamoylamino)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-[4-(methylcarbamoylamino)phenyl]-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2S/c1-22-21(29)24-15-11-9-14(10-12-15)23-20(28)18-25-19(17-8-5-13-30-17)27(26-18)16-6-3-2-4-7-16/h2-13H,1H3,(H,23,28)(H2,22,24,29)