S-(4-nitrophenyl) N-pent-3-ynylcarbamothioate

Systemtic Name: S-(4-nitrophenyl) N-pent-3-ynylcarbamothioate Openeye Name: S-(4-nitrophenyl) N-pent-3-ynylcarbamothioate CAS Name: N-pent-3-ynylcarbamothioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) N-pent-3-ynylcarbamothioate Traditional Name: N-pent-3-ynylthiocarbamic acid S-(4-nitrophenyl) ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCNC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC#CCCNC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O3S/c1-2-3-4-9-13-12(15)18-11-7-5-10(6-8-11)14(16)17/h5-8H,4,9H2,1H3,(H,13,15)