methyl 5-phenyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(1,2,4-triazol-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(1,2,4-triazol-4-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C15H13N5O2S2 MolecularWeight: 359.42602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NN3C=NN=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NN3C=NN=C3

InChI

InChI=1S/C15H13N5O2S2/c1-22-14(21)11-7-12(10-5-3-2-4-6-10)24-13(11)18-15(23)19-20-8-16-17-9-20/h2-9H,1H3,(H2,18,19,23)