methyl 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: methyl 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: methyl 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 2-[[4-(4-aminobenzyl)-5-butyl-1,2,4-triazol-3-yl]thio]butyric acid methyl ester Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SC(CC)C(=O)OC

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SC(CC)C(=O)OC

InChI

InChI=1S/C18H26N4O2S/c1-4-6-7-16-20-21-18(25-15(5-2)17(23)24-3)22(16)12-13-8-10-14(19)11-9-13/h8-11,15H,4-7,12,19H2,1-3H3