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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]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=CN2C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=CN2C3=CC=CC=C3OC

InChI

InChI=1S/C18H17N5O3S2/c1-3-26-17(24)15-12(11(8-19)16(20)28-15)9-27-18-22-21-10-23(18)13-6-4-5-7-14(13)25-2/h4-7,10H,3,9,20H2,1-2H3