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

Systemtic Name: dimethyl 5-azanyl-3-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(4-bromophenyl)-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-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H19BrN4O4S2 MolecularWeight: 523.42326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O4S2/c1-4-9-25-17(11-5-7-12(21)8-6-11)23-24-20(25)30-10-13-14(18(26)28-2)16(22)31-15(13)19(27)29-3/h4-8H,1,9-10,22H2,2-3H3