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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(O2)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(O2)C3=CC(=CC=C3)C

InChI

InChI=1S/C18H16N4O3S2/c1-3-24-17(23)14-13(12(8-19)15(20)27-14)9-26-18-22-21-16(25-18)11-6-4-5-10(2)7-11/h4-7H,3,9,20H2,1-2H3