ethyl 5-propyl-2-[(E)-(2H-1,2,3,4-tetrazol-5-ylamino)methylideneamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-propyl-2-[(E)-(2H-1,2,3,4-tetrazol-5-ylamino)methylideneamino]thiophene-3-carboxylate Openeye Name: ethyl 5-propyl-2-[(E)-(2H-tetrazol-5-ylamino)methyleneamino]thiophene-3-carboxylate CAS Name: 5-propyl-2-[(E)-(2H-tetrazol-5-ylamino)methylideneamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-propyl-2-[(E)-(2H-tetrazol-5-ylamino)methylideneamino]thiophene-3-carboxylate Traditional Name: 5-propyl-2-[(E)-(2H-tetrazol-5-ylamino)methyleneamino]thiophene-3-carboxylic acid ethyl ester Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)N=CNC2=NNN=N2)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=C(S1)/N=C/NC2=NNN=N2)C(=O)OCC

InChI

InChI=1S/C12H16N6O2S/c1-3-5-8-6-9(11(19)20-4-2)10(21-8)13-7-14-12-15-17-18-16-12/h6-7H,3-5H2,1-2H3,(H2,13,14,15,16,17,18)