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

Systemtic Name: 3-chloranyl-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C14H16ClN5O2S2 MolecularWeight: 385.89214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5O2S2/c1-4-24-14-18-17-8(2)20(14)19-13(23)16-12(21)9-5-6-11(22-3)10(15)7-9/h5-7H,4H2,1-3H3,(H2,16,19,21,23)