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

Systemtic Name: dimethyl 5-azanyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C(=O)OC)N

InChI

InChI=1S/C20H20N4O4S2/c1-4-10-24-17(12-8-6-5-7-9-12)22-23-20(24)29-11-13-14(18(25)27-2)16(21)30-15(13)19(26)28-3/h4-9H,1,10-11,21H2,2-3H3