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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCOC(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCCOC(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C18H17N3O2S2/c22-17(13-5-2-1-3-6-13)23-10-12-25-18-20-19-16(15-7-4-11-24-15)21(18)14-8-9-14/h1-7,11,14H,8-10,12H2