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

Systemtic Name: diethyl 5-azanyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=NN2C3=CC=CC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=NN2C3=CC=CC=C3)C(=O)OCC)N

InChI

InChI=1S/C18H19N5O4S2/c1-3-26-16(24)13-12(14(29-15(13)19)17(25)27-4-2)10-28-18-20-21-22-23(18)11-8-6-5-7-9-11/h5-9H,3-4,10,19H2,1-2H3