ethyl 5-[3-(2,3-dihydro-1H-inden-2-ylamino)propylsulfanyl]-4-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 5-[3-(2,3-dihydro-1H-inden-2-ylamino)propylsulfanyl]-4-methyl-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 5-[3-(indan-2-ylamino)propylsulfanyl]-4-methyl-1,2,4-triazole-3-carboxylate CAS Name: 5-[3-(2,3-dihydro-1H-inden-2-ylamino)propylthio]-4-methyl-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(2,3-dihydro-1H-inden-2-ylamino)propylsulfanyl]-4-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 5-[3-(indan-2-ylamino)propylthio]-4-methyl-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C(N1C)SCCCNC2CC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=NN=C(N1C)SCCCNC2CC3=CC=CC=C3C2

InChI

InChI=1S/C18H24N4O2S/c1-3-24-17(23)16-20-21-18(22(16)2)25-10-6-9-19-15-11-13-7-4-5-8-14(13)12-15/h4-5,7-8,15,19H,3,6,9-12H2,1-2H3