methyl 2-(1,2,4-triazol-4-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,2,4-triazol-4-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(1,2,4-triazol-4-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,2,4-triazol-4-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(1,2,4-triazol-4-ylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C12H13N5O2S2 MolecularWeight: 323.39392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NN3C=NN=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NN3C=NN=C3

InChI

InChI=1S/C12H13N5O2S2/c1-19-11(18)9-7-3-2-4-8(7)21-10(9)15-12(20)16-17-5-13-14-6-17/h5-6H,2-4H2,1H3,(H2,15,16,20)