S-(3-propan-2-ylphenyl) N-pent-2-ynylcarbamothioate

Systemtic Name: S-(3-propan-2-ylphenyl) N-pent-2-ynylcarbamothioate Openeye Name: S-(3-isopropylphenyl) N-pent-2-ynylcarbamothioate CAS Name: N-pent-2-ynylcarbamothioic acid S-(3-propan-2-ylphenyl) ester IUPAC Name: S-(3-propan-2-ylphenyl) N-pent-2-ynylcarbamothioate Traditional Name: N-pent-2-ynylthiocarbamic acid S-m-cumenyl ester Formula: C15H19NOS MolecularWeight: 261.38246

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCNC(=O)SC1=CC=CC(=C1)C(C)C

Isomeric SMILES

CCC#CCNC(=O)SC1=CC=CC(=C1)C(C)C

InChI

InChI=1S/C15H19NOS/c1-4-5-6-10-16-15(17)18-14-9-7-8-13(11-14)12(2)3/h7-9,11-12H,4,10H2,1-3H3,(H,16,17)