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

Systemtic Name: ethyl 5-azanyl-3-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H18N6O3S2 MolecularWeight: 430.50392

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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=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3S2/c1-3-27-17(25)14-13(12(8-19)15(20)29-14)9-28-18-23-22-16(24(18)21)10-4-6-11(26-2)7-5-10/h4-7H,3,9,20-21H2,1-2H3