5-methyl-N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-[(6-pentoxy-3-pyridyl)carbamothioyl]-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-N-[[(6-pentoxy-3-pyridinyl)amino]-sulfanylidenemethyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-methyl-N-[(6-pentoxypyridin-3-yl)carbamothioyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[(6-amoxy-3-pyridyl)thiocarbamoyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=NC=C(C=C1)NC(=S)NC(=O)C2=NN(N=C2C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N6O2S/c1-3-4-8-13-29-18-12-11-16(14-22-18)23-21(30)24-20(28)19-15(2)25-27(26-19)17-9-6-5-7-10-17/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H2,23,24,28,30)