tert-butyl 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C19H22N4O2S/c1-19(2,3)25-17(24)12-26-18-22-21-16(23(18)20)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11-12,20H2,1-3H3