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

Systemtic Name: 3-butoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NN2C(=NN=C2SCC)C

InChI

InChI=1S/C17H23N5O2S2/c1-4-6-10-24-14-9-7-8-13(11-14)15(23)18-16(25)21-22-12(3)19-20-17(22)26-5-2/h7-9,11H,4-6,10H2,1-3H3,(H2,18,21,23,25)