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

Systemtic Name: 3-chloranyl-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-chloro-4-methoxy-benzamide CAS Name: 3-chloro-N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-chloro-4-methoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-chloro-4-methoxy-benzamide Formula: C20H20ClN5O2S2 MolecularWeight: 461.9881

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN5O2S2/c1-3-17-23-24-20(30-12-13-7-5-4-6-8-13)26(17)25-19(29)22-18(27)14-9-10-16(28-2)15(21)11-14/h4-11H,3,12H2,1-2H3,(H2,22,25,27,29)