propyl 2-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propyl 2-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-benzotriazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propyl ester Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N6O2S/c1-2-12-27-17(26)13-28-19-22-21-18(24(19)14-8-4-3-5-9-14)25-16-11-7-6-10-15(16)20-23-25/h3-11H,2,12-13H2,1H3