2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-20(18-9-5-2-6-10-18)26-13-14-27-21-23-22-19(17-11-12-17)24(21)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2