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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 3-[[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

InChI

InChI=1S/C19H19N5O3S2/c1-4-7-24-17(12-6-8-27-11(12)3)22-23-19(24)28-10-14-13(9-20)16(21)29-15(14)18(25)26-5-2/h4,6,8H,1,5,7,10,21H2,2-3H3