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

Systemtic Name: dimethyl 5-azanyl-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-methyl-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-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C15H18N4O4S2/c1-5-6-19-8(2)17-18-15(19)24-7-9-10(13(20)22-3)12(16)25-11(9)14(21)23-4/h5H,1,6-7,16H2,2-4H3