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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]benzamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-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:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C)SC

InChI

InChI=1S/C16H21N5O2S2/c1-10(2)9-23-13-7-5-6-12(8-13)14(22)17-15(24)20-21-11(3)18-19-16(21)25-4/h5-8,10H,9H2,1-4H3,(H2,17,20,22,24)