ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3C(=NN=C3SCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3C(=NN=C3SCC)N

InChI

InChI=1S/C20H23N5O3S2/c1-4-28-18(27)15-14(13-9-7-6-8-10-13)11-30-17(15)22-16(26)12(3)25-19(21)23-24-20(25)29-5-2/h6-12H,4-5H2,1-3H3,(H2,21,23)(H,22,26)