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

Systemtic Name: diethyl 5-azanyl-3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S2/c1-5-8-21-10(4)19-20-17(21)26-9-11-12(15(22)24-6-2)14(18)27-13(11)16(23)25-7-3/h5H,1,6-9,18H2,2-4H3