ethyl 2-(1,2,4-triazol-4-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,2,4-triazol-4-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(1,2,4-triazol-4-ylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,2,4-triazol-4-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1,2,4-triazol-4-ylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C14H17N5O2S2 MolecularWeight: 351.44708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3C=NN=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NN3C=NN=C3

InChI

InChI=1S/C14H17N5O2S2/c1-2-21-13(20)11-9-5-3-4-6-10(9)23-12(11)17-14(22)18-19-7-15-16-8-19/h7-8H,2-6H2,1H3,(H2,17,18,22)