3,5-bis(chloranyl)-4-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-4-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 3,5-dichloro-4-methoxy-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-4-methoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 3,5-dichloro-4-methoxy-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C13H13Cl2N5O2S2 MolecularWeight: 406.31062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C(=C2)Cl)OC)Cl)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C(=C2)Cl)OC)Cl)SC

InChI

InChI=1S/C13H13Cl2N5O2S2/c1-6-17-18-13(24-3)20(6)19-12(23)16-11(21)7-4-8(14)10(22-2)9(15)5-7/h4-5H,1-3H3,(H2,16,19,21,23)