ethyl 5-azanyl-3-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H16N6O3S2 MolecularWeight: 404.46664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C3=C(OC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2N)C3=C(OC=C3)C

InChI

InChI=1S/C16H16N6O3S2/c1-3-24-15(23)12-11(10(6-17)13(18)27-12)7-26-16-21-20-14(22(16)19)9-4-5-25-8(9)2/h4-5H,3,7,18-19H2,1-2H3