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

Systemtic Name: 4-butoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SC)C

InChI

InChI=1S/C16H21N5O2S2/c1-4-5-10-23-13-8-6-12(7-9-13)14(22)17-15(24)20-21-11(2)18-19-16(21)25-3/h6-9H,4-5,10H2,1-3H3,(H2,17,20,22,24)