N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=C(C(=CC=C2)C)OC)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=C(C(=CC=C2)C)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S2/c1-4-17-23-24-21(30-13-15-10-6-5-7-11-15)26(17)25-20(29)22-19(27)16-12-8-9-14(2)18(16)28-3/h5-12H,4,13H2,1-3H3,(H2,22,25,27,29)