N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C14H17N5OS2 MolecularWeight: 335.44768

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C14H17N5OS2/c1-3-22-14-17-16-10(2)19(14)18-13(21)15-12(20)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,15,18,20,21)