S-[4-(3-chloranylpropyl)-1,2,4-triazol-3-yl] benzenecarbothioate

Systemtic Name: S-[4-(3-chloranylpropyl)-1,2,4-triazol-3-yl] benzenecarbothioate Openeye Name: S-[4-(3-chloropropyl)-1,2,4-triazol-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-(3-chloropropyl)-1,2,4-triazol-3-yl] ester IUPAC Name: S-[4-(3-chloropropyl)-1,2,4-triazol-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[4-(3-chloropropyl)-1,2,4-triazol-3-yl] ester Formula: C12H12ClN3OS MolecularWeight: 281.76118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=NN=CN2CCCCl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=NN=CN2CCCCl

InChI

InChI=1S/C12H12ClN3OS/c13-7-4-8-16-9-14-15-12(16)18-11(17)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2