(4Z)-4-(4-bromophenyl)-4-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]butanoate

Systemtic Name: (4Z)-4-(4-bromophenyl)-4-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]butanoate Openeye Name: (4Z)-4-(4-bromophenyl)-4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylhydrazono]butanoate CAS Name: (4Z)-4-(4-bromophenyl)-4-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]hydrazinylidene]butanoate IUPAC Name: (4Z)-4-(4-bromophenyl)-4-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]butanoate Traditional Name: (4Z)-4-(4-bromophenyl)-4-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylhydrazono]butyrate Formula: C16H19BrN3O3S- MolecularWeight: 413.30936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NN=C(CCC(=O)[O-])C2=CC=C(C=C2)Br

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N/N=C(/CCC(=O)[O-])\C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrN3O3S/c17-12-5-3-11(4-6-12)14(7-8-15(21)22)19-20-16(24)18-10-13-2-1-9-23-13/h3-6,13H,1-2,7-10H2,(H,21,22)(H2,18,20,24)/p-1/b19-14-/t13-/m1/s1