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

Systemtic Name: cyclopentyl 2-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(C1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H20N6O2S/c28-19(29-16-10-4-5-11-16)14-30-21-24-23-20(26(21)15-8-2-1-3-9-15)27-18-13-7-6-12-17(18)22-25-27/h1-3,6-9,12-13,16H,4-5,10-11,14H2