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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(2-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-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 3-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H17N5O3S2 MolecularWeight: 415.48928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(N2CC=C)C3=CC=CO3

InChI

InChI=1S/C18H17N5O3S2/c1-3-7-23-16(13-6-5-8-26-13)21-22-18(23)27-10-12-11(9-19)15(20)28-14(12)17(24)25-4-2/h3,5-6,8H,1,4,7,10,20H2,2H3