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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5OS2/c1-4-22-14-17-16-10(3)19(14)18-13(21)15-12(20)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3,(H2,15,18,20,21)