2-(4-chlorophenyl)sulfanylethyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCSC2=CC=C(C=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCSC2=CC=C(C=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C17H14ClN3O2S/c18-14-3-7-16(8-4-14)24-10-9-23-17(22)13-1-5-15(6-2-13)21-12-19-11-20-21/h1-8,11-12H,9-10H2