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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SCC)C

InChI

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