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

Systemtic Name: 4-ethyl-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-4-ethyl-benzamide CAS Name: 4-ethyl-N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-4-ethyl-benzamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)CC

InChI

InChI=1S/C21H23N5OS2/c1-3-15-10-12-17(13-11-15)19(27)22-20(28)25-26-18(4-2)23-24-21(26)29-14-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H2,22,25,27,28)