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

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C16H21N5O4S2 MolecularWeight: 411.49904

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C

InChI

InChI=1S/C16H21N5O4S2/c1-6-27-16-19-18-9(2)21(16)20-15(26)17-14(22)10-7-11(23-3)13(25-5)12(8-10)24-4/h7-8H,6H2,1-5H3,(H2,17,20,22,26)