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

Systemtic Name: diethyl 5-azanyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C(=O)OCC)N

InChI

InChI=1S/C22H24N4O4S2/c1-4-12-26-19(14-10-8-7-9-11-14)24-25-22(26)31-13-15-16(20(27)29-5-2)18(23)32-17(15)21(28)30-6-3/h4,7-11H,1,5-6,12-13,23H2,2-3H3