ethyl 2-[(6-tert-butyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-tert-butyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(6-tert-butyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[6-tert-butyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-tert-butyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-tert-butyl-5-keto-3-(methylthio)-1,2,4-triazin-4-yl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H27N5O3S3 MolecularWeight: 481.65508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3C(=O)C(=NN=C3SC)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3C(=O)C(=NN=C3SC)C(C)(C)C

InChI

InChI=1S/C20H27N5O3S3/c1-6-28-17(27)13-11-9-7-8-10-12(11)31-15(13)21-18(29)24-25-16(26)14(20(2,3)4)22-23-19(25)30-5/h6-10H2,1-5H3,(H2,21,24,29)