dimethyl 5-azanyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-phenyl-5-tetrazolyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(1-phenyltetrazol-5-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H15N5O4S2 MolecularWeight: 405.4514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NN=NN2C3=CC=CC=C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NN=NN2C3=CC=CC=C3)C(=O)OC)N

InChI

InChI=1S/C16H15N5O4S2/c1-24-14(22)11-10(12(15(23)25-2)27-13(11)17)8-26-16-18-19-20-21(16)9-6-4-3-5-7-9/h3-7H,8,17H2,1-2H3