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

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-propoxy-benzamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)CC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)CC

InChI

InChI=1S/C22H25N5O2S2/c1-3-13-29-18-12-8-11-17(14-18)20(28)23-21(30)26-27-19(4-2)24-25-22(27)31-15-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H2,23,26,28,30)