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

Systemtic Name: ethyl 2-[2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H23N5O3S2 MolecularWeight: 493.60112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C24H23N5O3S2/c1-2-32-22(31)18-13-19(17-11-7-4-8-12-17)34-21(18)26-20(30)14-29-23(25)27-28-24(29)33-15-16-9-5-3-6-10-16/h3-13H,2,14-15H2,1H3,(H2,25,27)(H,26,30)